Zeitschrift für Kristallographie - New Crystal Structures

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Zeitschrift für Kristallographie - New Crystal Structures

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Frontmatter

December 21, 2020

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New Crystal Structures
Open Access
The crystal structure of 3-oxo-urs-12-en-28-oic acid, C₃₀H₄₆O₃·1/6H₂O

November 6, 2020

Xiao-Hui Wang, Hui-yun Wang, Jia-Zhen Wang, Mei Zhang, Xiao-Qian Chen, Feng-Lan Zhao, Qing-Guo Meng

Page range: 1-5

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C 30 H 46 O 3 ·1/6H 2 O, monoclinic, C 2 (no. 5), a = 29.4307(4) Å, b = 15.42797(17) Å, c = 18.4667(2) Å, β = 104.4652(12)°, V = 8119.11(17) Å 3 , Z = 12, R gt ( F ) = 0.0432, wR ref ( F 2 ) = 0.1197, T = 293(2) K. CCDC no. : 2016692
Open Access
The crystal structure of (3S,12R,20R,24R)-3,12-diacetyl-20,24-epoxy-dammarane-3,12,25–triol–ethyl acetate (4/1), C₃₄H₅₆O₆⋅ 0.25(C₄H₈O₂)

November 5, 2020

Ruo-Lin Zhao, Hui-Yun Wang, Xiao-Hui Wang, Ming-Zhu Luan, Feng-Lan Zhao, Qing-Guo Meng

Page range: 7-9

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C 34 H 56 O 6 ⋅0.25(C 4 H 8 O 2 ), orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 8.17152(14) Å, b = 17.6728(3) Å, c = 23.1916(5) Å, V = 3349.18(11) Å 3 , Z = 4, R gt ( F ) = 0.0416, wR ref ( F 2 ) = 0.1143, T = 293 K.
Open Access
A new polymorph of tetrakis(dimethylammonium) catena-poly[tetrakis(μ₂-sulfato-κ²O:O′)dizinc(II)], Zn₂C₈H₃₂N₄O₁₆S₄

November 4, 2020

Gaoxiang Meng, Zhou Li, Yongming Yang

Page range: 11-13

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Zn2C8H32N4O16S4${\text{Zn}}_{2}{\text{C}}_{8}{\text{H}}_{32}{\text{N}}_{4}{\text{O}}_{16}{\text{S}}_{4}$, triclinic, P1‾$P‾{1}$ (no. 2), a = 9.0313(9) Å, b = 9.6075(14) Å, c = 15.3044(15) Å, α = 89.933(2)°, β = 78.579(1)°, γ = 68.878(1)°, V = 1210.6(2) Å 3 , Z = 2, Rgt${R}_{gt}$( F ) = 0.0323, wRref$w{R}_{\mathit{ref}}$( F 2 ) = 0.1043, T = 100(2) K.
Open Access
Crystal structure of 10-oxysophoridine, C₁₅H₂₂N₂O₂

November 2, 2020

Ming Yan, Huan-Yong Li, Ding Luo, Si Chen, Yu-Bo Zhang, Yao-Lan Li, Guo-Cai Wang

Page range: 15-16

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C 15 H 22 N 2 O 2 , orthorhombic, P 2 1 2 1 2 1 a = 5.27590(10) Å, b = 10.3482(3) Å, c = 23.5372(6) Å, V = 1285.04(6) Å 3 , Z = 4, R gt ( F ) = 0.0338, wR ref ( F 2 ) = 0.0852, T = 100(1) K.
Open Access
The crystal structure of (5R,8R,9R,10R,12R,13R,14R)-12-hydroxy-4,4,8,10,14-pentamethyl-17-((R)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl)tetradecahydro-3H-cyclopenta[a]phenanthrene-3,6(2H)-dione, C₃₀H₄₈O₄

November 4, 2020

Ke-wei Sun, Hui-yun Wang, Guang-qun Ma, Qin Luo, Yun-Hui Wang, Qing-Guo Meng

Page range: 17-20

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C 30 H 48 O 4 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 12.34133(14) Å, b = 16.50759(15) Å, c = 26.8804(2) Å, V = 5476.23(9) Å 3 , Z = 8, R gt ( F ) = 0.0422, wR ref ( F 2 ) = 0.0990, T = 293 K.
Open Access
Synthesis, crystal structure and optical property of 1,6-bis(p-tolylthio)pyrene, C₃₀H₂₂S₂

November 2, 2020

Nie Jing, Wei Jian-Hua, Ni Zhong-Hai

Page range: 21-23

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C 30 H 22 S 2 , triclinic, P1‾$P‾{1}$ (no. 2), a = 7.5621(2) Å, b = 8.6787(3) Å, c = 9.8951(3) Å, α = 110.4180(10)°, β = 97.6810(10)°, γ = 108.8430(10)°, V = 553.33(3) Å 3 , Z = 1, R gt ( F ) = 0.0413, wR ref ( F 2 ) = 0.1160, T = 200(2) K.
Open Access
The crystal structure of hexakis(2-(pyridin-2-ylamino)pyridin-1-ium) decavanadate(V) dihydrate, C₆₀H₆₄N₁₈O₃₀V₁₀

October 30, 2020

Chuansheng Cui, Sen Liu, Wenli Zhao

Page range: 25-27

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C 60 H 64 N 18 O 30 V 10 , orthorhombic, Pbca (no. 61), a = 21.1781(19) Å, b = 14.4198(13) Å, c = 24.543(2) Å, V = 7495.2(12) Å 3 , Z = 4, R gt ( F ) = 0.0538, wR ref ( F 2 ) = 0.1482, T = 298 K.
Open Access
Preparation and crystal structure of a cationic olefin polymerization precatalyst: (1,7-bis(2,6–dichlorophenyl)-1,7-di-aza-4-oxo-heptan-1,4,7-triyl)dimethyl zirconium(IV), C₁₈H₂₀Cl₄N₂OZr

November 6, 2020

Peter J. Bonitatibus, Guido J. Reiss

Page range: 29-32

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C 18 H 20 Cl 4 N 2 OZr, monoclinic, Pnma (no. 62), a = 12.457(3) Å, b = 22.806(8) Å, c = 7.398(2) Å, V = 2101.7(11) Å 3 , Z = 4, R gt ( F ) = 0.0291, wR ref ( F 2 ) = 0.0685, T = 110 K.
Open Access
The crystal structure of fac-tricarbonyl(4,4-dimethyl-2,2-dipyridyl-κ²N,N′)- (pyrazole-κN)rhenium(I) nitrate, C₁₈H₁₆O₃N₄Re

November 6, 2020

Mamolatelo J. Moremi, Orbett T. Alexander, Banele Vatsha, Katlego Makgopa, Amanda-Lee E. Manicum

Page range: 33-35

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C 18 H 16 O 3 N 4 Re, monoclinic, P 2 1 / c (no. 14), a = 9.8409(6) Å, b = 14.0933(9) Å, c = 13.9153(9) Å, β = 90.558(2)°, V = 1929.8(2) Å 3 , Z = 4, R gt ( F ) = 0.0266, wR ref ( F 2 ) = 0.0584, T = 100(2) K.
Open Access
Synthesis and crystal structure of hexaaquacopper(II) 2,5-dicarboxyterephthalate, C₁₀H₁₆O₁₄Cu

November 5, 2020

Bukunola K. Oguntade, Siya T. Hulushe, Eric C. Hosten, Gareth M. Watkins

Page range: 37-38

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C10H16O14${\text{C}}_{10}{\text{H}}_{16}{\text{O}}_{14}$Cu, monoclinic, I 2/ a (no. 15), a = 7.2407(3) Å, b = 9.7565(4) Å, c = 21.1814(10) Å, β = 93.913(2)°, V = 1492.85(11) Å 3 , Z = 4, Rgt${R}_{gt}$( F ) = 0.0198, wRref$w{R}_{\mathit{ref}}$( F 2 ) = 0.0509, T = 200 K.
Open Access
The crystal structure of (8R,10R,12R,14R)- 12-hydroxy-16-(5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)- 4,4,8,10,14-pentamethyltetradecahydro-3H- cyclopenta[a]phenanthrene-3,6(2H)-dione, C₃₀H₄₈O₅

November 2, 2020

Xiao-Hui Wang, Hui-yun Wang, Sheng-Nan Zhang, Jia Song, Lun-Hai Liang, Feng-Lan Zhao, Qing-Guo Meng

Page range: 39-42

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C 30 H 48 O 5 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 11.6608(10) Å, b = 14.8098(15) Å, c = 15.9975(16) Å, V = 2762.7(5) Å 3 , Z = 4, R gt ( F ) = 0.0586, wR ref ( F 2 ) = 0.1580, T = 293(2) K.
Open Access
Structure of the mixed crystal (S)-(6-(bromo/chloro)-2-methoxy-2,6-dihydroquinolin-3-yl)(phenyl)methanol, C₁₇H₁₄Br_0.5Cl_0.5NO₂

October 28, 2020

Yi-Ding Geng, Yi-Xia Gong

Page range: 43-44

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C 17 H 14 Br 0.5 Cl 0.5 NO 2 , monoclinic, P 2 1 / n (no. 14), a = 11.7324(5) Å, b = 7.4663(3) Å, c = 17.2211(8) Å, β = 104.890(1)°, V = 1457.87(11) Å 3 , Z = 4, R gt ( F ) = 0.0334, wR ref ( F 2 ) = 0.0693, T = 296(2) K.
Open Access
The crystal structure of trans-tetraaqua-bis(4-acetylphenoxyacetato-κ¹O)manganese(II), C₂₀H₂₆O₁₂Mn

October 28, 2020

Yin Jie, Zhang Feng-Jun, Tai Xi-Shi

Page range: 45-46

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C 20 H 26 O 12 Mn, monoclinic, P 2 1 / c (no. 14), a = 4.8272(7) Å, b = 15.828(2) Å, c = 14.3688(19) Å, β = 95.312(13)°, V = 1093.1(3) Å 3 , Z = 2, R gt ( F ) = 0.0344, wR ref ( F 2 ) = 0.0789, T = 100(1) K.
Open Access
Crystal structure of (E)-2-(4-fluoro-3-(trifluoromethyl)benzylidene)-7-methoxy-3,4-dihydronaphthalen-1(2H)-one, C₁₉H₁₄F₄O₂

October 12, 2020

Xiao-Fan Zhang, Hui-yun Wang, Sheng-Nan Zhao, Sheng-Nan Zhang, Feng-Lan Zhao, Qing-Guo Meng

Page range: 47-49

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C19H14F4O2${\text{C}}_{19}{\text{H}}_{14}{\text{F}}_{4}{\text{O}}_{2}$, triclinic, P1‾$P‾{1}$ (no. 2), a = 8.1539(7) Å, b = 8.8584(6) Å, c = 11.8025(9) Å, α = 73.186(7)°, β = 76.184(7)°, γ = 69.512(7)°, V = 755.39(11) Å 3 , Z = 2, Rgt${R}_{gt}$( F ) = 0.0436, wRref$w{R}_{\text{ref}}$( F 2 ) = 0.0965, T = 100 K.
Open Access
Crystal structure of DL-α-(methylaminomethyl)benzyl alcohol, C₉H₁₃NO

October 5, 2020

Pholani Manana, Eric C. Hosten, Richard Betz

Page range: 51-53

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C9H13NO${\text{C}}_{9}{\text{H}}_{13}\text{NO}$, orthorhombic, Pbcn (no. 60), a = 29.554(4) Å, b = 7.4930(11) Å, c = 8.2800(10) Å, V = 1833.6(4) Å 3 , Z = 8, Rgt${R}_{gt}$( F ) = 0.0737, wRref$w{R}_{ref}$(F2${F}^{2}$) = 0.1646, T = 200 K.
Open Access
The crystal structure of dipentaerthritol hexanitrate, C₁₀H₁₆N₆O₁₉

November 6, 2020

Yue Zheng, Chen Lizhen, Chao Hui, Wei Chenglong, Li Zhihua, Cao Duanlin

Page range: 55-56

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C10H16N6O19${\text{C}}_{10}{\text{H}}_{16}{\text{N}}_{6}{\text{O}}_{19}$, monoclinic, C 2/ c (no. 15), a = 29.980(5) Å, b = 8.4695(17) Å, c = 20.719(4) Å, β = 128.124(7)°, V = 4138.7(16) Å 3 , Z = 8, Rgt${R}_{gt}$( F ) = 0.0587, wRref$w{R}_{ref}$( F 2 ) = 0.1683, T = 170 K.
Open Access
Crystal structure of N,N-diphenylformamide, C₁₃H₁₁NO

October 5, 2020

Eric C. Hosten, Richard Betz

Page range: 57-59

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C 13 H 11 NO, orthorhombic, Pca 2 1 (no. 29), a = 23.801(4) Å, b = 6.0510(13) Å, c = 7.2677(14) Å, V = 1046.7(3) Å 3 , Z = 4, R gt ( F ) = 0.0335, wR ref ( F 2 ) = 0.0896, T = 200 K.
Open Access
Crystal structure of (E)-2-(3,5-bis(trifluoromethyl)benzylidene)-7-methoxy-3,4-dihydronaphthalen- 1(2H)-one, C₂₀H₁₄F₆O₂

October 12, 2020

Ming-Zhu Luan, Hui-yun Wang, Mei Zhang, Jia Song, Gui-Ge Hou, Feng-Lan Zhao, Qing-Guo Meng

Page range: 61-63

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C20H14F6O2${\text{C}}_{20}{\text{H}}_{14}{\text{F}}_{6}{\text{O}}_{2}$, monoclinic, P 2 1 / c (no. 14), a = 14.791(2) Å, b = 8.5303(9) Å, c = 15.531(3) Å, β = 115.474(19)°, V = 1769.1(5) Å 3 , Z = 4, Rgt${R}_{gt}$( F ) = 0.0574, w Rref$w\,{R}_{\text{ref}}$( F 2 ) = 0.1451, T = 100 K. CCDC no. : 2016723
Open Access
Crystal structure of ortho-methoxy benzaldehyde, C₈H₈O₂ – a second polymorph and deposition of 3D coordinates

October 12, 2020

Marius Maritz, Eric C. Hosten, Richard Betz

Page range: 65-67

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C 8 H 8 O 2 , tetragonal, P 4 3 2 1 2 (no. 96), a = 10.9521(5) Å, c = 23.3014(17) Å, V = 2795.0(3) Å 3 , Z = 16, R gt ( F ) = 0.0317, wR ref ( F 2 ) = 0.0883, T = 200 K.
Open Access
Crystal structure of catena-poly[diaqua-bis(μ₂-2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)propanoato-κ²O:O')-(2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)propanoato-κ²O,O')yttrium(III)], C₅₁H₇₉O₁₁Y

December 10, 2020

Ke-Xiang Zhong, Rong-Gui Zhang, Lai-Chao Li, De-Sen Zhao, Yan-Liang Wang

Page range: 69-72

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C 51 H 79 O 11 Y, monoclinic, P 2 1 / c (no. 14), a = 8.8682(3) Å, b = 22.1328(8) Å, c = 27.9848(10) Å, β = 96.710(1)°, V = 5455.2(3) Å 3 , Z = 4, R gt ( F ) = 0.0495, wR ref ( F 2) = 0.1275, T = 296(2) K.
Open Access
Crystal structure of benzylthiouronium chloride, C₈H₁₁ClN₂S

October 5, 2020

Marius Maritz, Eric C. Hosten, Richard Betz

Page range: 73-75

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C 8 H 11 ClN 2 S, orthorhombic, Pbca (no. 61), a = 11.3126(6) Å, b = 8.3567(4) Å, c = 20.4130(11) Å, V = 1929.76(17) Å 3 , Z = 8, R gt ( F ) = 0.0240, wR ref ( F 2 ) = 0.0680, T = 200 K.
Open Access
Synthesis and crystal structure of tert-butyl (2′R,3R,3′R,4a′R,9a′S)-1-acetyl-5-chloro-3″-methyl-2,5″,9′-trioxo-1″-phenyl-1″,4a′,5″,9a′-tetrahydro-1′H,3′H,9′H-dispiro[indoline-3,4′-xanthene-2′,4″-pyrazole]-3′-carboxylate, C₃₆H₃₂ClN₃O₇

October 4, 2020

Wu-Wu Li, Yuan-Zi Gu, Lei Cao

Page range: 77-80

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C 36 H 32 ClN 3 O 7 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 11.4608(5) Å, b = 12.1489(5) Å, c = 23.1684(7) Å, V = 3225.9(2) Å 3 , Z = 4, R gt ( F ) = 0.0588, wR ref ( F 2 ) = 0.1546, T = 293 K.
Open Access
Crystal structure of 2-hydroxy-4-methoxy benzaldehyde, C₈H₈O₃

October 2, 2020

Lubabalo Ndima, Eric C. Hosten, Richard Betz

Page range: 81-83

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C 8 H 8 O 3 , monoclinic, P 2 1 / c (no. 14), a = 6.3037(3) Å, b = 33.102(2) Å, c = 7.0471(4) Å, β = 102.105(3)°, V = 1437.79(14) Å 3 , Z = 8, R gt ( F ) = 0.0433, wR ref ( F 2 ) = 0.1087, T = 200 K.
Open Access
Crystal structure of poly[diaqua-(m₃-3′,5′-dicarboxy-[1,1′-biphenyl]-3,4-dicarboxylato-K⁴O,O′:O″:O‴) cadmium(II)], C₁₆H₁₁O₁₀Cd

October 15, 2020

Jie Luo, Guang-Na Gu, Ying-Li Zheng

Page range: 85-86

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C 16 H 11 O 10 Cd, monoclinic, C 2/ c (no. 15), a = 26.026(3) Å, b = 6.3807(6) Å, c = 19.738(5) Å, α = 90, β = 98.162(16), γ = 90, V = 3244.5(10) Å 3 , Z = 8, R gt ( F ) = 0.0359, wR ref ( F 2 ) = 0.0702, T = 293(2) K.
Open Access
Crystal structure of {tetraaqua-bis(1-(4-hydroxy-2-oxotetrahydrofuran-3-yl)-2-((4aS,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethane-1-sulfonato-k²O,O') calcium(II)}-{triaqua-bis(1-(4-hydroxy-2-oxotetrahydrofuran-3-yl)-2-((4aS,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethane-1-sulfonato-k²O,O') calcium(II)} – water – acetone (1/1/8/2)

November 5, 2020

Ying-Jie Chang, Yuan-Min Ding, Lin-Yuan Zhu, Hong-Min Liu, Wen Li

Page range: 87-91

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C 43 H 78 CaO 22 S 2 , monoclinic, P 2 1 (no. 4), a = 18.2539(3) Å, b = 15.3118(3) Å, c = 18.3718(4) Å, β = 91.2637(17)°, Z = 4, V = 5133.65(18) Å 3 , R gt ( F ) = 0.0544, wR ref ( F 2 ) = 0.1622, T = 293(2) K.
Open Access
Synthesis and crystal structure of bis{2-bromo-6-((E)-((4-((E)-1-(methoxy-imino)ethyl)phenyl)imino)methyl)phenolato- κ²N,O}zinc(II)-methanol(1/2), C₆₅H₆₀Br₄N₈O₉Zn₂

December 14, 2020

Xiao‐San Song

Page range: 93-95

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C 65 H 60 Br 4 N 8 O 9 Zn 2 , triclinic, P1¯$P\overline{1}$ (no. 2), a = 10.5707(4) Å, b = 11.1159(5) Å, c = 15.9260(7) Å, α = 92.654(2)°, β = 104.4460(10)°, γ = 116.0400(10)°, Z = 1, V = 1601.90(12) Å 3 , R gt ( F ) = 0.0574, wR ref ( F 2 ) = 0.1284, T = 173(2) K.
Open Access
Crystal structure of benzenesulphonic acid

October 2, 2020

Pholani Manana, Eric C. Hosten, Richard Betz

Page range: 97-99

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C 6 H 6 O 3 S, orthorhombic, Pca 2 1 (no. 29), a = 15.3524(8) Å, b = 5.7180(3) Å, c = 15.3395(9) Å, V = 1346.58(13) Å 3 , Z = 8, R gt ( F ) = 0.0253, wR ref ( F 2 ) = 0.0663, T = 200(2) K.
Open Access
Crystal structure of N-benzyl-N-nicotinoyl-nicotine amide C₁₉H₁₅N₃O₂

October 5, 2020

Eric C. Hosten, Richard Betz

Page range: 101-103

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C 19 H 15 N 3 O 2 , monoclinic, P 2 1 / c (no. 14), a = 18.4336(13) Å, b = 6.0321(4) Å, c = 15.0585(10) Å, β = 112.171(3)°, V = 1550.60(18) Å 3 , Z = 4, R gt ( F ) = 0.0535, wR ref ( F 2 ) = 0.1298, T = 200 K.
Open Access
Crystal structure of poly[aqua(μ₃-2,4-diamino-benzenesulfonato-κ⁴N:N′,O:O′)silver(I)], C₁₂H₁₈O₈N₄S₂Ag₂

October 8, 2020

Ze-Rong He, Han-Lin Zhao, Jin-Ke Jiang, Hao-Feng Cheng, Jie Cheng, Xian-Wu Dong

Page range: 105-106

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C 12 H 18 O 8 N 4 S 2 Ag 2 , monoclinic, P 2 1 / c (no. 14), a = 10.7841(10) Å, b = 8.0140(5) Å, c = 11.7220(11) Å, β = 117.278(11)°, V = 900.40(16) Å 3 , Z = 2, R gt ( F ) = 0.0279, wR ref ( F 2 ) = 0.0627, T = 293(2) K.
Open Access
Crystal structure of 1,4-bis(methylpyridinium benzene) bis(1,2-dicyanoethene-1,2-dithiolato-κ₂S:S)nickel(II), C₂₆H₁₈N₆NiS₄

October 9, 2020

Wei-Hong Yan, Hui-Yan Pan

Page range: 107-108

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C 26 H 18 N 6 NiS 4 , triclinic, P 1¯$\overline{1}$ (no. 2), a = 8.2947(4) Å, b = 8.9964(5) Å, c = 9.4210(5) Å, α = 70.988(1) ° , β = 79.971(1) ° , γ = 82.567(1) ° , V = 652.52(6) Å 3 , Z = 1, R gt ( F ) = 0.0340, wR ref ( F 2 ) = 0.0643, T = 296(2) K.
Open Access
Crystal structure of the Cu(II) complex chlorido-(6-oxo-2-phenyl-1,6-dihydropyrimidine-4-carboxylato-k²N,O)-(phenanthroline-k²N,N')copper(II), C₂₃H₁₅ClCuN₄O₃

October 12, 2020

Qi Yang, Meng-Qi Hou, Pei-Rou Chen, Shuo Li, Guang-Peng Zhou, Gan Li, Dong-Dong Chen

Page range: 109-111

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C 23 H 15 ClCuN 4 O 3 , monoclinic, P 2 1 / c (no. 14), a = 10.63346(14) Å, b = 17.99387(15) Å, c = 11.60320(16) Å, β = 116.2165(17)°, V = 1991.74(5) Å 3 , Z = 4, R gt ( F ) = 0.0315, wR ref ( F 2 ) = 0.0898, T = 293(2) K.
Open Access
Crystal structure of phenarsazine chloride acetic acid solvate, C₁₄H₁₃AsClNO₂

October 9, 2020

Arthur Averdunk, Eric C. Hosten, Richard Betz

Page range: 113-115

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C 14 H 13 AsClNO 2 , triclinic, P 1¯$\overline{1}$ (no. 2), a = 7.7180(7) Å, b = 8.2190(7) Å, c = 11.9620(10) Å, α = 87.438(4)°, β = 73.450(4)°, γ = 72.167(4)°, V = 691.66(10) Å 3 , Z = 2, R gt ( F ) = 0.0203, wR ref ( F 2 ) = 0.0541, T = 200 K. CCDC no. : 2031779
Open Access
Crystal structure of poly[aqua-(μ₂-3,3′,4,5′-biphenyl tetracarboxylate- κ³O,O′:O′′) -(μ₂-4,4′-bis(pyrid-4-yl)biphenyl-κ²N:N′)zinc(II)], C₂₇H₁₈NO₉Zn

October 9, 2020

Jie Luo, Xiao‐Wei Wang, Ying‐Li Zheng

Page range: 117-119

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C 27 H 18 NO 9 Zn, triclinic, P1¯$P\overline{1}$ (no. 2), a = 8.4357(10) Å, b = 10.1228(10) Å, c = 13.5186(10) Å, α = 83.830(7)°, β = 10.1228(10)°, γ = 13.5186(10)°, V = 1142.05(19) Å 3 , Z = 2, R gt ( F ) = 0.0665, wR ref ( F 2 ) = 0.1427, T = 293(2) K.
Open Access
Crystal structure of catena-poly[(μ₂-3-amino-benzenedisulfonato-κ²N:O)-bis (3-methyl-isoquinoline-κN)silver(I)], C₂₆H₂₄N₃O₃SAg

October 8, 2020

Xin Liu, Han-Lin Zhao, Jin-Ke Jiang, Si-Yu Ma, Yong Li, Yu-Jie Li

Page range: 121-123

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C 26 H 24 N 3 O 3 SAg, monoclinic, P 2 1 / c (no. 14), a = 13.1936(9) Å, b = 11.0544(7) Å, c = 16.3653(9) Å, β = 99.214(6)°, V = 2356.0(3) Å 3 , Z = 4, R gt ( F ) = 0.0495, wR ref ( F 2 ) = 0.1080, T = 293(2) K.
Open Access
Crystal structure of 2-((4-Aminophenyl)thio)acetic acid, C₈H₉NO₂S

October 2, 2020

Marius Maritz, Eric C. Hosten, Richard Betz

Page range: 125-127

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C 8 H 9 NO 2 S, triclinic, P 1¯$\overline{1}$ (no. 2), a = 6.6909(5) Å, b = 7.9787(6) Å, c = 8.5551(6) Å, α = 80.065(3)°, β = 68.175(3)°, γ = 77.676(4)°, V = 412.01(5) Å 3 , Z = 2, R gt ( F ) = 0.0263, wR ref ( F 2 ) = 0.0784, T = 200(2) K.
Open Access
Crystal structure of phenarsazine chloride dimethylsulfoxide solvate, C₁₄H₁₅AsClNOS

October 2, 2020

Arthur Averdunk, Eric C. Hosten, Richard Betz

Page range: 129-131

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C 14 H 15 AsClNOS, monoclinic, P 2 1 (no. 4), a = 5.2852(2) Å, b = 13.3035(6) Å, c = 10.7522(5) Å, β = 90.130(2) Å, V = 756.00(6) Å 3 , Z = 2, R gt ( F ) = 0.0200, wR ref ( F 2 ) = 0.0503, T = 200(2) K.
Open Access
Synthesis and crystal structure of 2-azido-N-phenylacetamide, C₈H₈N₄O

October 5, 2020

Walid Guerrab, Mohcine Missioui, Younes Zaoui, Joel T. Mague, Youssef Ramli

Page range: 133-134

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C 8 H 8 N 4 O, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 5.8085(13) Å, b = 16.533(4) Å, c = 18.171(4) Å, V = 1745.0(7) Å 3 , Z = 8, R gt ( F ) = 0.0399, wR ref ( F 2 ) = 0.1078, T = 296(2) K.
Open Access
Crystal structure of chlorido{hydridotris[3-phenyl-5-methylpyrazol-1-yl-κN³]borato}copper(II), C₃₀H₂₈BClCuN₆

October 2, 2020

Kiyoshi Fujisawa, Masaya Shimizu, Edward R. T. Tiekink

Page range: 135-138

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C 30 H 28 BClCuN 6 , triclinic, P1‾$P‾{1}$ (no. 2), a = 11.549(3) Å, b = 12.321(3) Å, c = 12.348(4) Å, α = 111.785(1)°, β = 116.664(3)°, γ = 97.513(1)°, V = 1361.3(7) Å 3 , Z = 2, R gt ( F ) = 0.0440, wR ref ( F 2 ) = 0.1063, T = 197 K.
Open Access
Crystal structure of benzanthrone – a redetermination for correct molecular geometry and localization of hydrogen atoms

October 12, 2020

Pholani Manana, Eric C. Hosten, Richard Betz

Page range: 139-141

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C 17 H 10 O, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 5.0604(12) Å, b = 14.672(3) Å, c = 14.846(3) Å, V = 1102.2(4) Å 3 , Z = 4, R gt ( F ) = 0.0432, wR ref ( F 2 ) = 0.1022, T = 200(2) K.
Open Access
Crystal structure of 4-bromobenzaldehyde – complete redetermination at 200 K, C₇H₅BrO

October 2, 2020

Lubabalo Ndima, Jarryd Cuthbertson, Eric C. Hosten, Richard Betz

Page range: 143-145

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C 7 H 5 BrO, monoclinic, P 2 1 / c (no. 14), a = 27.3992(18) Å, b = 3.9369(2) Å, c = 12.8006(8) Å, β = 103.504(2) Å, V = 1342.60(14) Å 3 , Z = 8, R gt ( F ) = 0.0469, wR ref ( F 2 ) = 0.1103, T = 200(2) K.
Open Access
Crystal structure and spectroscopic properties of chlorido{hydridotris[3-,5-dimethylpyrazol-1-yl-κN³]borato}(3-,5-dimethylpyrazol-1-yl-κN)copper(II), C₂₀H₃₀BClCuN₈

October 5, 2020

Kiyoshi Fujisawa, Edward R. T. Tiekink

Page range: 147-150

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C 20 H 30 BClCuN 8 , monoclinic, P 2 1 / c (no. 14), a = 17.1345(7) Å, b = 7.8207(2) Å, c = 19.0213(8) Å, β = 108.268(1)°, V = 2420.46(16) Å 3 , Z = 4, R gt ( F ) = 0.0322, wR ref ( F 2 ) = 0.0876, T = 184 K.
Open Access
The crystal structure of 4-((2-hydroxynaphthalen-1-yl)(pyrrolidin-1-yl)methyl)benzonitrile, C₂₂H₂₀N₂O

October 12, 2020

Wenxiang Wang, Chao Zhu

Page range: 151-153

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C 22 H 20 N 2 O, orthorhombic, Pna 2 1 (no. 33), a = 11.677(2) Å, b = 13.999(3) Å, c = 11.171(2) Å, V = 1826.2(6) Å 3 , Z = 4, R gt ( F ) = 0.0521, wR ref ( F 2 ) = 0.1078, T = 293 K. CCDC no. : 2020121
Open Access
Crystal structure of 4-ethyl-3-phenylisoquinolin-1(2H)-one, C₁₇H₁₅NO

October 12, 2020

Hui-Mei Lin, Jia-Yin Peng, Ting-Guang Zou, Wan-Yi Xu, Yi-Wen Tao, Bao-Long Lai

Page range: 155-156

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C 17 H 15 NO, monoclinic, C 2/ c (no. 15), a = 19.197(2) Å, b = 8.0719(8) Å, c = 16.6511(18) Å, α = 90°, β = 100.171(10)°, γ = 90°, V = 2539.6(5) Å 3 , Z = 8, R gt ( F ) = 0.0416, wR ref ( F 2 ) = 0.1107, T = 100(1) K. CCDC no. : 2020262
Open Access
Crystal structure of (tricyclohexylphosphane-κP)-[(Z)-N-(3-fluorophenyl)-O-methylthiocarbamato-k₁S]gold(I), C₂₆H₄₀AuFNOPS

October 2, 2020

Chien Ing Yeo, Yee Seng Tan, Edward R. T. Tiekink

Page range: 157-161

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C 26 H 40 AuFNOPS, triclinic, P 1 (no. 1), a = 9.62498(7) Å, b = 11.78239(10) Å, c = 12.74349(13) Å, α = 78.7411(8)°, β = 73.5635(8)°, γ = 76.6096(1)°, V = 1335.34(2) Å 3 , Z = 2, R gt ( F ) = 0.0224, wR ref ( F 2 ) = 0.0557, T = 100 K.
Open Access
Crystal structure of (3S,8R,10R,12R,14R)-12-hydroxy-4,4,8,10,14-pentamethyl-17-((R)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl) hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate, C₃₂H₅₄O₄

October 12, 2020

Ying Ma, Hui-Yun Wang, Xiao-Fan Zhang, Feng-Lan Zhao, Qing-Guo Meng

Page range: 163-166

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C 32 H 54 O 4 , monoclinic, P 2 1 (no. 4), a = 7.8727(1) Å, b = 19.9173(2) Å, c = 19.1801(2) Å, β = 94.539(1)°, V = 2998.06(6) Å 3 , Z = 4, R gt ( F ) = 0.0370, wR ref ( F 2 ) = 0.0983, T = 293 K.
Open Access
The crystal structure of 2-[(S)-1-(naphthalen-1-yl)ethyl]-2,3,7,7a- tetrahydro-3a,6-epoxyisoindol-1(6H)-one, C₁₉H₂₀NO₂

September 28, 2020

Yi-Xia Gong, Yi-Ding Geng

Page range: 167-168

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C 19 H 20 NO 2 , monoclinic, P 2 1 (no. 4), a = 6.685(5) Å, b = 8.878(7) Å, c = 13.239(9) Å, β = 97.720(2)°, V = 778.75(10) Å 3 , Z = 2, R gt ( F ) = 0.0423, wR ref ( F 2 ) = 0.0970, T = 296(2) K.
Open Access
Crystal structure of {hydridotris[3-(t-butyl)-5-isopropylpyrazol-1-yl-κN³]borato}thallium(I), C₃₀H₅₂BN₆Tl

October 2, 2020

Kiyoshi Fujisawa, Daichi Shimizu, Edward R. T. Tiekink

Page range: 169-172

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C 30 H 52 BN 6 Tl, monoclinic, P 2 1 / n (no. 14), a = 9.611(3) Å, b = 17.586(5) Å, c = 19.710(6) Å, β = 98.374(7)°, V = 3295.8(17) Å 3 , Z = 4, R gt ( F ) = 0.0152, wR ref ( F 2 ) = 0.0381, T = 182 K.
Open Access
Synthesis and crystal structure of 1-octyl-3-phenylquinoxalin-2(1H)-one, C₂₂H₂₆N₂O

October 6, 2020

Nadeem Abad, Souad Ferfra, El Mokhtar Essassi, Joel T. Mague, Youssef Ramli

Page range: 173-175

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C 22 H 26 N 2 O, monoclinic, C 2/ c (no. 15), a = 47.4887(9) Å, b = 5.0220(1) Å, c = 16.4551(3) Å, β = 108.993(1)°, V = 3710.70(12) Å 3 , Z = 8, R gt ( F ) = 0.0345, wR ref ( F 2 ) = 0.0935, T = 150(2) K. CCDC Nr.: 2025941
Open Access
The crystal structure of 2,6-difluorophenol, C₆H₄F₂O

October 2, 2020

Pholani Manana, Jarryd Cuthbertson, Eric C. Hosten, Richard Betz

Page range: 177-178

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C6H4F2O${\text{C}}_{6}{\text{H}}_{4}{\text{F}}_{2}\text{O}$, orthorhombic, P212121$P{2}_{1}{2}_{1}{2}_{1}$ (no. 19), a = 4.9287(5) Å, b = 10.1752(8) Å, c = 10.9156(10) Å, V = 547.42(9) Å 3 , Z = 4, Rgt${R}_{gt}$( F ) = 0.0248, wRref$w{R}_{\text{ref}}$(F2${F}^{2}$) = 0.0705, T = 200 K . CCDC no. : 2025946
Open Access
4-(9H-Fluoren-9-yl)-4-methylmorpholin-4-ium bromide, C₁₈H₂₀BrNO

October 1, 2020

Mohammed H. Kailani, Firas F. Awwadi

Page range: 179-180

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C 18 H 20 BrNO, orthorhombic, Pbca (No. 61), a = 8.4285(4) Å, b = 19.2055(9) Å, c = 19.7809(12) Å, Z = 8, V = 3202.0(3) Å 3 , R gt ( F ) = 0.0427, wR ref ( F 2 ) = 0.1025, T = 293(2) K.
Open Access
The crystal structure of 2,4-dimethylimidazole monohydrate, C₅H₁₀N₂O

November 16, 2020

Eric C. Hosten, Richard Betz

Page range: 181-183

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C 5 H 10 N 2 O, monoclinic, Ia (no. 9), a = 4.7212(4) Å, b = 11.1424(8) Å, c = 12.8211(9) Å, β = 94.349(3)°, V = 672.52(9) Å 3 , Z = 4, R gt ( F ) = 0.0280, wR ref ( F 2 ) = 0.0821, T = 200 K.
Open Access
The crystal structure of 1,2-dimethylimidazole, C₅H₈N₂

November 13, 2020

Eric C. Hosten, Richard Betz

Page range: 185-186

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C 5 H 8 N 2 , monoclinic, P 2 1 / n (no. 14), a = 8.2492(6) Å, b = 7.2496(5) Å, c = 9.2882(7) Å, β = 99.214(2)°, V = 548.30(7) Å 3 , Z = 4, R gt ( F ) = 0.0477, wR ref ( F 2 ) = 0.1400, T = 200 K.
Open Access
The crystal structure of 3-ammonio-4-aminobenzoate, C₇H₈N₂O₂ – a second polymorph

November 13, 2020

Eric C. Hosten, Richard Betz

Page range: 187-188

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C 7 H 8 N 2 O 2 , monoclinic, P 2 1 / n (no. 14), a = 8.9884(6) Å, b = 6.0490(4) Å, c = 12.1290(8) Å, β = 95.400(2)°, V = 656.54(8) Å 3 , Z = 4, R gt ( F ) = 0.0340, wR ref ( F 2 ) = 0.0978, T = 200 K.
Open Access
The crystal structure of 4-hydroxy-2,5-bis(1-methyl-1H-imidazol-3-ium-2-ylthio)-3,6-dioxocyclohexa-1,4-dienolate chloride monohydrate, C₁₄H₁₅N₄O₅S₂Cl

November 16, 2020

Ming-zhi Miao, Ji Li

Page range: 189-191

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C 14 H 15 N 4 O 5 S 2 Cl, orthorhombic, Pbca (no. 69), a = 16.1956(11) Å, b = 11.7856(8) Å, c = 18.7814(13) Å, V = 3584.9(4) Å 3 , Z = 8, R gt ( F ) = 0.0459, wR ref ( F 2 ) = 0.1218, T = 298(2) K. CCDC no.: 2034931
Open Access
The crystal structure of butyrylferrocene, C₁₄H₁₆FeO

November 13, 2020

Eric C. Hosten, Richard Betz

Page range: 193-195

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C 14 H 16 FeO, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 5.6954(3) Å, b = 10.0307(6) Å, c = 20.4422(14) Å, V = 1167.84(12) Å 3 , Z = 4, R gt ( F ) = 0.0267, wR ref ( F 2 ) = 0.0559, T = 200 K.
Open Access
The crystal structure of bi-1,1′-cyclopentane-1,1′-diol, C₁₀H₁₈O₂

November 16, 2020

Eric C. Hosten, Richard Betz

Page range: 197-199

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C 10 H 18 O 2 , monoclinic, C 2/ c (no. 15), a = 10.0025(5) Å, b = 18.8285(9) Å, c = 11.2384(6) Å, β = 115.327(2)°, V = 1913.11(17) Å 3 , Z = 8, R gt ( F ) = 0.0596, wR ref ( F 2 ) = 0.1606, T = 200 K.
Open Access
The crystal structure of 2-iso-propylimidazole, C₆H₁₀N₂

November 13, 2020

Eric C. Hosten, Richard Betz

Page range: 201-203

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C 6 H 10 N 2 , triclinic, P 1‾$‾{1}$ (no. 2), a = 7.4423(5) Å, b = 7.9420(5) Å, c = 11.6711(8) Å, α = 96.667(3)°, β = 95.650(3)°, γ = 100.999(3)°, V = 667.42(8) Å 3 , Z = 4, R gt ( F ) = 0.0620, wR ref ( F 2 ) = 0.1681, T = 200 K.
Open Access
The crystal structure of aqua-tris (1,3-diphenylpropane-1,3-dionato-κ²O,O′)-lanthanum(III), C₄₅H₃₅LaO₇

November 16, 2020

Matthew Hickson, Abigail Sephton, Travis Dugmore, Eric C. Hosten, Richard Betz

Page range: 205-207

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C 45 H 35 LaO 7 , trigonal, R 3 (no. 146), a = 22.3832(11) Å, c = 6.4522(3) Å, V = 2799.5(3) Å 3 , Z = 3, R gt ( F ) = 0.0192, wR ref ( F 2 ) = 0.0462, T = 200 K.
Open Access
Crystal structure of (3E,5E)-3,5-bis-4-methoxy-3-(trifluoromethyl)benzylidene)-1-methylpiperidin-4-one, C₂₄H₂₁F₆NO₃

November 12, 2020

Xiao-Fan Zhang, Hui-yun Wang, Jia Song, Lun-Hai Liang, Yang-Rong Xu, Feng-Lan Zhao, Qing-Guo Meng

Page range: 209-211

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C 24 H 21 F 6 NO 3 , monoclinic, P 2 1 / c (no. 14), a = 16.6493(9) Å, b = 15.3005(8) Å, c = 8.8554(5) Å, β = 99.746(6)°, V = 2223.3(2) Å 3 , Z = 4, R gt ( F ) = 0.0444, wR ref ( F 2 ) = 0.1094, T = 100 K.
Open Access
The crystal structure of 3,5-dichloro-6-diazo-2,4-dinitrocyclohexa-2,4-dien-1-one, C₆Cl₂N₄O₅

November 13, 2020

Haifang Wang

Page range: 213-214

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C 6 Cl 2 N 4 O 5 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 6.0044(6) Å, b = 8.9660(11) Å, c = 18.0544(18) Å, V = 971.97(18) Å 3 , Z = 4, R gt ( F ) = 0.0501, wR ref ( F 2 ) = 0.0987, T = 170.0 K.
Open Access
Crystal structure of carbonyl(2-methylquinolin-8-olato-κ²N,O)(triphenylarsine-κAs)rhodium(I), C₂₉H₂₃AsNO₂Rh

December 10, 2020

Mohammed A. Elmakki, Orbett T. Alexander, Johan A. Venter, Andreas Roodt

Page range: 215-217

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C29H23AsNO2${\text{C}}_{29}{\text{H}}_{23}{\text{AsNO}}_{2}$Rh, triclinic, P1‾$P‾{1}$ (no. 2), a = 9.2778(18) Å, b = 9.8274(16) Å, c = 14.444(3) Å, α = 99.748(6)°, β = 91.330(7)°, γ = 114.197(6)°, V = 1177.6(4) Å 3 , Z = 2, Rgt${R}_{gt}$( F ) = 0.0552, wRref$w{R}_{ref}$( F 2 ) = 0.1005, T = 100 K.
Open Access
Crystal structure of (1aS,1a¹S,2S)-4a-butoxy-1a,1a¹,2,4a,5,6-hexahydro-1H-cyclobuta[de]naphthalen-2-yl-4-nitrobenzoate, C₂₂H₂₅NO₅

November 16, 2020

Jiahuan Luo, Shengxian Zhai, Chuchu Han, Hanwen Zhao

Page range: 219-221

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C 22 H 25 NO 5 , monoclinic, P 2 1 / c (no. 14), a = 15.7241(13) Å, b = 7.0223(5) Å, c = 18.4613(14) Å, β = 100.329(4)°, V = 2005.4(3) Å 3 , Z = 4, R gt ( F ) = 0.0495, wR ref ( F 2 ) = 0.1564, T = 296(2) K.
Open Access
Crystal structure of carbonyl(2-oxopyridin-1(2H)-olato-k²O,O′)(triphenylarsine-κAs)rhodium(I), C₂₄H₁₉AsNO₃Rh

December 10, 2020

Mohammed A. Elmakki, Orbett T. Alexander, Johan A. Venter, Andreas Roodt

Page range: 223-225

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C 24 H 19 AsNO 3 Rh, triclinic, P 1‾$‾{1}$ (no. 2), a = 9.1358(5) Å, b = 9.6478(6) Å, c = 12.4509(7) Å, α = 92.303(2)°, β = 106.281(2)°, γ = 99.137(2)°, V = 1035.89(1) Å 3 , Z = 2, R gt ( F ) = 0.0336, wR ref ( F 2 ) = 0.0900, T = 100 K.
Open Access
Crystal structure of catena-poly[triqua-bis(μ₂-4-carboxy-2-(1H-tetrazol-1-yl)-1H-imidazole-5-carboxylato-k³N,O:O′)barium(II)] tetrahydrate, C₁₄H₁₄BaN₁₂O₁₅

November 6, 2020

Wei Xie, Rui Li, Chuan-Qi Wang

Page range: 227-229

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C 14 H 14 BaN 12 O 15 , monoclinic, C 2/ c (no. 15), a = 21.787(4) Å, b = 6.7594(11) Å, c = 18.143(3) Å, β = 102.456(2)°, V = 2609.0(8) Å 3 , Z = 4, R gt ( F ) = 0.0209, wR ref ( F 2 ) = 0.0567, T = 296(2) K.
Open Access
Crystal structure of (E)-3′,6′-bis(ethylamino)-2-((quinoxalin-2-ylmethylene)amino)spiro[isoindoline-1,9′-xanthen]-3-one, C₃₅H₃₂N₆O₂

December 14, 2020

Shuang-Shuang Liu, Wei-Na Wu, Yuan Wang

Page range: 231-233

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C 35 H 32 N 6 O 2 , triclinic, P 1‾$‾{1}$ (no. 2), a = 10.902(2) Å, b = 12.434(2) Å, c = 13.481(4) Å, α = 102.881(5)°, β = 104.935(5)°, γ = 114.542(3)°, V = 1488.6(6) Å 3 , Z = 2, R gt ( F ) = 0.0511, wR ref ( F 2 ) = 0.1429, T = 296 K.
Open Access
Crystal structure of diaqua-bis(μ₂-5-chloro-salicylato-κ³O,O′:O′)-bis(5-chloro-salicylato-κ²O,O′)-bis(1,10-phenanthroline-κ²N,N′) dilead(II) – water (1/2), C₅₂H₃₆C₁₄N₄O₁₄Pb₂·2(H₂O)

November 10, 2020

Zhiwei Tang, Decai Wen

Page range: 235-237

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C 52 H 36 C 14 N 4 O 14 Pb 2 ·2(H 2 O), triclinic, P1‾$P‾{1}$ (no. 2), a = 9.1186(4) Å, b = 12.8031(6) Å, c = 13.0111(6) Å, α = 63.504(4)°, β = 79.400(4)°, γ = 77.198(4)°, V = 1319.34(12) Å 3 , Z = 1, R gt ( F ) = 0.0342, wR ref ( F 2 ) = 0.0554, T = 293 K.
Open Access
Crystal structure of (E)-2-(4-ethoxycarbonyl-3,5-dimethyl-2-(pyrrole-2-ylmethyleneamino)-3′,6′-dihydroxylspiro[isoindoline-1,9′-xanthen]-3-one-methanol (1/1), C₃₁H₂₉N₃O₇

December 14, 2020

Ling Zhang, Wei-Na Wu, Yuan Wang

Page range: 239-241

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C 31 H 29 N 3 O 7 , monoclinic, P 2 1 / c (no. 14), a = 13.6280(14) Å, b = 14.4801(15) Å, c = 14.4962(15) Å, β = 97.586(2)°, V = 2835.6(5) Å 3 , Z = 4 R gt ( F ) = 0.0532, wR ref ( F 2 ) = 0.1569, T = 296 K.
Open Access
The crystal structure of 5H-dibenzo[b,e]azepine-6,11-dione, C₁₄H₉NO₂

November 9, 2020

Li-Hua Wang, Xiao-Jing Zhou, Li-Li Liu, Ai-Ling Zhang, Xi-Shi Tai

Page range: 243-244

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C 14 H 9 NO 2 , orthorhombic, Pca 2 1 (no. 29), a = 27.190(4) Å, b = 4.3317(6) Å, c = 17.297(2) Å, V = 2037.2(5) Å 3 , Z = 8, R gt ( F ) = 0.0524, wR ref ( F 2 ) = 0.1122, T = 150.0(1) K.
Open Access
Crystal structure of (E)-2-(4-fluoro-2-(trifluoromethyl)benzylidene)-7-methoxy-3,4-dihydronaphthalen-1(2H)-one, C₁₉H₁₄F₄O₂

November 2, 2020

Ming-Zhu Luan, Hui-Yun Wang, Mei Zhang, Jia Song, Yang-Rong Xu, Feng-Lan Zhao, Qing-Guo Meng

Page range: 245-247

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C 19 H 14 F 4 O 2 , monoclinic, C 2/ c (no. 15), a = 17.1519(13) Å, b = 13.9810(8) Å, c = 15.2299(9) Å, β = 123.031(7)°, V = 3061.9(4) Å 3 , Z = 8, R gt ( F ) = 0.0410, wR ref ( F 2 ) = 0.1010, T = 100(1) K.
Open Access
The crystal structure of N-(2-methoxy-4,5-bis[phenylselanyl]phenyl)picolinamide, C₂₅H₂₀N₂O₂Se₂

November 2, 2020

Lu-Yao Wang, Qing Wang, Meng-Meng Zhang, Ping-Ping Li, Xiao-Long Guo

Page range: 249-250

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C 25 H 20 N 2 O 2 Se 2 , triclinic, P 1‾$‾{1}$ (no. 2), a = 9.6050(2) Å, b = 9.7531(2) Å, c = 13.2788(2) Å, α = 75.130(1) ° , β = 81.824(1) ° , γ = 72.329(2) ° , V = 1142.75(4) Å 3 , Z = 2, R gt ( F ) = 0.0393, wR ref ( F 2 ) = 0.1092, T = 294 K.
Open Access
The crystal structure of (E)-2-(5-bromo-2-hydroxybenzylidene)-N-phenylhydrazine-1- carboxamide monohydrate, C₁₄H₁₄BrN₃O₃

November 4, 2020

Wang Li-Hua, Zhou Xiao-Jing, Liu Li-Li, Zhang Ai-Ling, Tai Xi-Shi

Page range: 251-252

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C 14 H 14 BrN 3 O 3 , orthorhombic, Pca 2 1 (no. 29), a = 32.932(3) Å, b = 5.8490(7) Å, c = 7.3606(8) Å, V = 1417.8(3) Å 3 , Z = 4, R gt ( F ) = 0.0260, wR ref ( F 2 ) = 0.0553, T = 150 K.
Open Access
Crystal structure of fac-tricarbonyl-(nitrato-k¹O)-bis(pyridine-κN)-rhenium, C₁₃H₁₀O₆N₃Re

November 19, 2020

Francois J. F. Jacobs, Alice Brink

Page range: 253-255

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C 13 H 10 O 6 N 3 Re, monoclinic, P 2 1 / c (no. 14), a = 7.9325(9) Å, b = 13.811(2) Å, c = 13.458(2) Å, β = 92.637(4)°, V = 1472.83(4) Å 3 , Z = 4, R gt ( F ) = 0.0249, wR ref ( F 2 ) = 0.0568, T = 100(2) K. CCDC no. : 2024932
Open Access
Crystal structure of (E)-2-(((1H-pyrrol-2-yl)methylene)amino)-3′,6′-dihydroxyspiro[isoindoline-1,9′-xanthen]-3-one — methanol (1/2), C₂₇H₂₅N₃O₆

December 14, 2020

Yu-Fei Song, Wei-Na Wu, Yuan Wang

Page range: 257-258

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C 27 H 25 N 3 O 6 , triclinic, P 1‾$‾{1}$ (no. 2), a = 10.591(5) Å, b = 10.833(5) Å, c = 12.503(6) Å, α = 73.690(7)°, β = 88.569(7)°, γ = 60.856(6)°, V = 1191.7(9) Å 3 , Z = 2, R gt ( F ) = 0.0542, wR ref ( F 2 ) = 0.1716, T = 296 K.
Open Access
The crystal structure of 4-amino-N′-(4-aminobenzoyl)benzohydrazide monohydrate, C₁₄H₁₆N₄O₃

November 4, 2020

Tai Xi-Shi, Zhou Xiao-Jing, Liu Li-Li, Zhang Ai-Ling, Wang Li-Hua

Page range: 259-260

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C 14 H 16 N 4 O 3 , orthorhombic, P 2 1 2 1 2 (no. 18), a = 8.0968(7) Å, b = 16.6829(17) Å, c = 5.3097(5) Å, V = 717.22(12) Å 3 , Z = 2, R gt ( F ) = 0.0420, wR ref ( F 2 ) = 0.0816, T = 293(2) K.
Open Access
Crystal structure of bis(amino(carbamothioylamino)methaniminium) 5-hydroxyisophthalate monohydrate, C₁₂H₂₀N₈O₆S₂

December 10, 2020

Kun Chen, Yanmei Shi, Xin Zhu

Page range: 261-262

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C 12 H 20 N 8 O 6 S 2 , monoclinic, P 2 1 / c (no. 14), a = 15.8571(11) Å, b = 7.6581(5) Å, c = 16.9166(12) Å, β = 113.334(1)°, V = 1886.3(2) Å 3 , Z = 4, R gt ( F ) = 0.0317, wR ref ( F 2 ) = 0.1053, T = 298 K.
Open Access
The crystal structure of 2-(chloromethyl)pyridine, C₆H₆ClN

November 23, 2020

Eric C. Hosten, Richard Betz

Page range: 263-265

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C 6 H 6 ClN, monoclinic, P 2 1 / c (no. 14), a = 6.5211(2) Å, b = 10.2467(3) Å, c = 9.1436(3) Å, β = 94.1771(11)°, V = 609.35(3) Å 3 , Z = 4, R gt ( F ) = 0.0260, wR ref ( F 2 ) = 0.0680, T = 200 K.
Open Access
The crystal structure of 1-bromo-4-iodo-benzene, C₆H₄BrI

November 12, 2020

Eric C. Hosten, Richard Betz

Page range: 267-268

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C 6 H 4 BrI, monoclinic, P 2 1 / c (no. 14), a = 4.1704(6) Å, b = 5.8242(8) Å, c = 14.929(2) Å, β = 97.315(5)°, V = 359.67(9) Å 3 , Z = 2, R gt ( F ) = 0.0303, wR ref ( F 2 ) = 0.0982, T = 200 K.
Open Access
The crystal structure of 2,6-dimethyl-4-nitro-phenol, C₈H₉NO₃

November 16, 2020

Eric C. Hosten, Richard Betz

Page range: 269-271

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C 8 H 9 NO 3 , monoclinic, P 2 1 / n (no. 14), a = 6.9121(4) Å, b = 26.9700(15) Å, c = 8.7204(5) Å, β = 106.152(3)°, V = 1561.48(16) Å 3 , Z = 8, R gt ( F ) = 0.0486, wR ref ( F 2 ) = 0.1399, T = 200 K.
Open Access
The crystal structure of 3-chloropropionic acid, C₃H₅ClO₂

November 23, 2020

Eric C. Hosten, Richard Betz

Page range: 273-275

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C 3 H 5 ClO 2 , monoclinic, P 2 1 / c (no. 14), a = 5.2011(4) Å, b = 7.4362(4) Å, c = 24.1175(15) Å, β = 94.594(3)°, V = 929.78(10) Å 3 , Z = 8, R gt ( F ) = 0.0333, wR ref ( F 2 ) = 0.0795, T = 200 K.
Open Access
The crystal structure of 2-(2-methoxyphenyl)acetic acid, C₉H₁₀O₃

November 23, 2020

Eric C. Hosten, Richard Betz

Page range: 277-279

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C 9 H 10 O 3 , orthorhombic, Pbca (no. 61), a = 14.2570(6) Å, b = 7.9250(4) Å, c = 29.8796(13) Å, V = 3376.0(3) Å 3 , Z = 16, R gt ( F ) = 0.0404, wR ref ( F 2 ) = 0.1050, T = 200 K.

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