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Zeitschrift für Kristallographie - New Crystal Structures

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Volume 239, Issue 2

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Zeitschrift für Kristallographie - New Crystal Structures

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Zeitschrift für Kristallographie - New Crystal Structures

Contents

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Frontmatter

March 5, 2024

Page range: i-vi

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New Crystal Structures
Open Access
Solvothermal synthesis and crystal structure of aqua-tris(p-acetamidobenzoate-κ²O,O′)-(2,2′-bipyridine-κ²N,N′)terbium(III) - water - methanol (1/1/1)

January 15, 2024

Zhuo-Wen Xu, Yu-Xuan Xia, Chang-Hong Li, Wei Li, Yang Liu

Page range: 155-157

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C 75 H 76 N 10 O 23 Tb 2 , triclinic, P − 1 ‾ $P-\overline{1}$ (no. 2), a = 10.4524(13) Å, b = 12.9626(16) Å, c = 15.2003(18) Å, α = 108.674(2) ∘ , β = 94.931(2) ∘ , γ = 101.617(2) ∘ , V = 1885.8(4) nm 3 , Z = 1, R gt ( F ) = 0.0236, wR ref ( F 2 ) = 0.0584, T = 296 K.
Open Access
Crystal structure of hexaaquazinc(II) catena-poly[bis(1-(3-carboxyphenyl)-5-methyl-4-oxo-1,4-dihydropyridazine-3-carboxylato-κ²O,O′)-bis(μ₂-1-(3-carboxyphenyl)-5-methyl-4-oxo-1,4-dihydropyridazine-3-carboxylato-κ²O:O′)trizinc(II)] hexahydrate C₂₆H₃₆N₄O₂₀Zn₂

February 20, 2024

Hui-Bin Pan, Jia-Hao Gao, Pei-Pei Huang, Jia-Xin Wang, Ting-Ting Wu, Jiu-Fu Lu

Page range: 159-161

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C 26 H 36 N 4 O 20 Zn 2 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 6.9872(4) Å, b = 8.9052(5) Å, c = 8.9052(5) Å, α = 94.441(4)°, β = 93.552 ( 4 ) ° $93.552(4){}^{\circ}$ , γ = 90.045 ( 5 ) ° $90.045(5){}^{\circ}$ , V = 1651.61(16) Å 3 , Z = 2, R g t ${R}_{gt}$ ( F ) = 0.0748, w R r e f $w{R}_{ref}$ ( F 2 ) = 0.2021, T = 293 K.
Open Access
The crystal structure of valinyl-N-ium-4-(5-(thiophen-2-yl)isoxazol-3-yl)phenyl trifluoroacetate

January 15, 2024

Richa Hu, Changzhou Liao, Yao Tian, Junkai Li, Zhigang Zeng

Page range: 163-166

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C 18 H 18 N 2 O 3 S⋅C 2 HF 3 O 2 , monoclinic, P 2 1 (no. 4), a = 6.0979(2) Å, b = 32.3052(9) Å, c = 11.0805(3) Å, β = 99.5620(10)°, V = 2152.46(11) Å 3 , Z = 4, R gt ( F ) = 0.0570, wR ref ( F 2 ) = 0.1470, T = 200(1) K.
Open Access
Crystal structure of bis(3,5-diisopropyl-1H-pyrazol-4-ammonium) tetrafluoroterephthalate, 2[C₉H₁₈N₃][C₈F₄O₄]

February 7, 2024

Kiyoshi Fujisawa, Seigo Harakuni, Kako Iwai, Keigo Ageishi, Edward R. T. Tiekink

Page range: 167-170

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2[C 9 H 18 N 3 ][C 8 F 4 O 4 ], monoclinic, I 2/ a (no. 15), a = 10.2282(4) Å, b = 11.9366(5) Å, c = 24.5548(12) Å, β = 98.948(4)°, V = 2961.4(2) Å 3 , Z = 4, R gt ( F ) = 0.0456, w R ref ( F 2 ) = 0.1217, T = 178 K.
Open Access
Crystal structure of aqua-octakis(μ₃-salicylato)-(1,10-phenanthroline)-(acetonitrile)-dicobalt(II)-trititanium(IV), C₇₀H₄₅N₃O₂₅Co₂Ti₃

January 15, 2024

Pu Zhang, You-Zhu Yu

Page range: 171-174

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C 70 H 45 N 3 O 25 Co 2 Ti 3 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 12.7748(10) Å, b = 14.7615(11) Å, c = 18.8142(14) Å, α = 99.929(4)°, β = 92.995(4)°, γ = 109.170(4)°, V = 3278.3(4) Å 3 , Z = 2, R gt ( F ) = 0.0383, wR ref ( F 2 ) = 0.1201, T = 296(2) K.
Open Access
Crystal structure of catena-poly[aqua-(μ₂-4,4′-diimidazole diphenyl ether-κ²N:N′)-(sulfato-κ¹O)-cobalt(II)] – dimethylformamide (2/1), C₃₉H₃₇CoN₉O₈S

February 6, 2024

Xinyan Ding, Liguo Gao

Page range: 175-177

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C 39 H 37 CoN 9 O 8 S, monoclinic, P 2 1 / m (no. 11), a = 8.5267(5) Å, b = 20.1577(12) Å, c = 11.2333(7) Å, β = 105.493(7)°, V = 1860.6(2) Å 3 , Z = 2, R gt ( F ) = 0.0443, w R ref ( F 2 ) = 0.0968, T = 293(2) K.
Open Access
Crystal structure of (5R,8R,9R,10R,12R, 13R,14R,17S)-2-(E-3-fluorobenzylidene)-12-hydroxy-4,4,8,10,14-pentamethyl-17-((R)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl) hexadecahydro-3H-cyclopenta[a]phenanthren-3-one, C₃₇H₅₃FO₃

January 15, 2024

Kuo Cheng, Ya-Bin Song, Qing-Guo Meng, Bao-Gang Wang, Yun Hou, Wen-Shui Wang, Sheng Jiang

Page range: 179-182

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C 37 H 53 FO 3 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 7.4716(8) Å, b = 15.0009(15) Å, c = 28.065(5) Å, V = 3145.5(7) Å 3 , Z = 4, R gt ( F ) = 0.0643, wR ref ( F 2 ) = 0.1464, T = 293 K.
Open Access
Crystal structure of (Z)-4-((4,5,6-trimethoxy-3-oxobenzofuran-2(3H)-ylidene)methyl)phenyl diphenylphosphinate, C₃₀H₂₅O₇P

January 24, 2024

Hua-Bin Wang, Lian-Hua Xu, Ju-Mei Shi, Jiang-Yong An

Page range: 183-185

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C 30 H 25 O 7 P, monoclinic, P 2 1 / c (no. 14), a = 12.1091(3) Å, b = 8.0535(2) Å, c = 25.4435(6) Å, β = 92.169(2)°, V = 2479.49(10) Å 3 , Z = 4, R gt ( F ) = 0.0438, wR ref ( F 2 ) = 0.1219, T = 150 K.
Open Access
Crystal structure of 3-((5-methylpyridin-2-yl)amino)-1-phenylpropan-1-one, C₁₅H₁₆N₂O

January 4, 2024

Jiang-Yong An, Hua-Bin Wang, Lian-Hua Xu, Ju-Mei Shi

Page range: 187-188

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C 15 H 16 N 2 O, monoclinic, P 2 1 / c (no. 14), a = 5.1351(4) Å, b = 19,9377(14) Å, c = 12.3576(9) Å, β = 95.951 ( 7 ) ° $95.951(7){}^{\circ}$ , Z = 4, V = 1258.38(16) Å 3 , R gt ( F ) = 0.0762, w R ref ( F 2 ) = 0.2224, T = 150 K.
Open Access
The crystal structure of (R)-9-(5-methoxy-2-methyl-2,3-dihydro-1H-cyclopenta[a]naphthalen-1-ylidene)-9H-thioxanthene, C₂₈H₂₂OS

January 3, 2024

Shao-Wen Deng, Wen-Yan Guo, Lin Yuan

Page range: 189-191

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C 28 H 22 OS, monoclinic, P 2 1 / c (no. 14), a = 21.690(3) Å, b = 5.9871(10) Å, c = 17.587(3) Å, β = 112.993(2)°, V = 2102.4(6) Å 3 , Z = 4, R gt ( F ) = 0.0449, wR ref ( F 2 ) = 0.1171, T = 296(2) K.
Open Access
Crystal structure of diaqua-bis[1-(1-(hydroxymethyl)-1H-pyrazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylato-κ²N,O)] manganese(II), C₁₆H₂₀MnN₁₀O₈

January 15, 2024

Shu Ye, Jing-Jing Guo, Linlin Zhu, Mengyi Zhang, Chao Feng

Page range: 193-195

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C 16 H 20 MnN 10 O 8 , monoclinic, P 2 1 / c (no. 14), a = 11.1178(7) Å, b = 12.7838(6) Å, c = 15.6649(10) Å, β = 105.692(6)°, V = 2143.4(2) Å 3 , Z = 4, R gt ( F ) = 0.0638, ωR ref ( F 2 ) = 0.2034, T = 293 K.
Open Access
The crystal structure of t-butyl 7-[4-(4-fluorophenyl)-2-[(methanesulfonyl)(methyl)amino]-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate, C₂₆H₃₆FN₃O₆S

February 5, 2024

Jing Zou, Lv-Qing Sheng, Xin-Xin Xu, Rou-Han Xu, Cheng-Jun Jiang

Page range: 197-199

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C 26 H 36 FN 3 O 6 S, monoclinic, P 2 1 (no. 4), a = 10.6615(4) Å, b = 8.7470(3) Å, c = 29.4342(11) Å, α = 9°, β = 95.6130(10)°, γ = 90°, V = 2731.76(17) Å 3 , Z = 4, R gt ${R}_{\text{gt}}$ ( F ) = 0.0439, w R ref $\mathrm{w}{R}_{\text{ref}}$ ( F 2 ) = 0.1083, T = 170 K.
Open Access
The crystal structure of samarium sulfate pentahydrate, Sm₂(SO₄)₃(H₂O)₅

February 6, 2024

Ming Li, Xiaofei Wang, Chunyan Mao

Page range: 201-203

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Sm 2 (SO 4 ) 3 (H 2 O) 5 , monoclinic, C 2/ c (no. 15), a = 15.653(3) Å, b = 9.5369(19) Å, c = 10.199(2) Å, β = 120.36(3)°, V = 1313.9(6) Å 3 , Z = 1, R gt ( F ) = 0.0281, wR ref ( F 2 ) = 0.0664, T = 293 K.
Open Access
The crystal structure of [triaqua-(8-carboxymethoxy-quinoline-2-carboxylate-κ ⁴ N,O,O,O)-zinc(II)] monohydrate, C₁₂H₁₅NO₉Zn

January 4, 2024

Li-Hua Wang, Xi-Hai Yan, Yuan-Fang Wang, Xi-Shi Tai

Page range: 205-206

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C 12 H 15 NO 9 Zn, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 7.3596(3) Å, b = 8.1735(2) Å, c = 12.0982(4) Å, α = 85.754(3)°, β = 80.318(3)°, γ = 84.852(2)°, V = 713.21(4) Å 3 , Z = 2, R gt ( F ) = 0.0515, wR ref ( F 2 ) = 0.1510, T = 288.8(3) K.
Open Access
The crystal structure of 2,3-difluoro-11H-benzo-[4,5]imidazo[2,1-a]isoindol-11-one, C₁₄H₆F₂N₂O

January 4, 2024

Zhen-Long Tu, Bangjin Sun

Page range: 207-208

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C 14 H 6 F 2 N 2 O, triclinic, P 1 ¯ $P\bar{1}$ (no. 2), a = 5.9169(4) Å, b = 8.1225(7) Å, c = 11.6546(8) Å, α = 101.826 ( 6 ) ∘ $101.826{(6)}^{\circ }$ , β = 104.661 ( 6 ) ∘ $104.661{(6)}^{\circ }$ , γ = 93.190 ( 6 ) ∘ $93.190{(6)}^{\circ }$ , V = 526.95(7) Å 3 , Z = 2, R gt ${R}_{\text{gt}}$ ( F ) = 0.0389, w R ref ${\mathrm{w}R}_{\text{ref}}$ ( F 2 ) = 0.0950, T = 170 K.
Open Access
The crystal structure of 2,3-di(9H-carbazol-9-yl)-9H-fluoren-9-one, C₃₇H₂₂N₂O

January 4, 2024

Bangjin Sun, Zhenlong Tu

Page range: 209-211

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C 37 H 22 N 2 O, monoclinic, P 2/ n (no. 13), a = 8.9663(3) Å, b = 9.1812(3) Å, c = 30.8083(9) Å, β = 93.714(3)°, Z = 4, V = 2530.86(14) Å 3 , R gt ( F ) = 0.0445, w R ref ( F 2 ) = 0.1192, T = 150 K.
Open Access
The crystal structure of 5-(2-chloro-3-(3,6-di-tert-butyl-9H-carbazol-9-yl)phenyl)-10,11-dihydro-5H-dibenzo[b,f]azepine, C₄₀H₃₉ClN₂

January 4, 2024

Bangjin Sun, Zhenlong Tu

Page range: 213-215

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C 40 H 39 ClN 2 , monoclinic, P 2 1 / c (no. 14), a = 14.6448(2) Å, b = 11.1193(2) Å, c = 19.9769(4) Å, β = 98.741(2)°, V = 3215.25(10) Å 3 , Z = 4, R gt ( F ) = 0.0559, wR ref ( F 2 ) = 0.1614, T = 200 K.
Open Access
Crystal structure of 2-bromo-1-hydroxy-3-(3-methylbut-2-enyloxy)-9H-xanthen-9-one, C₁₈H₁₅BrO₄

January 24, 2024

Vuyisa Mzozoyana, Sizwe J. Zamisa, Fanie R. van Heerden

Page range: 217-218

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C 18 H 15 BrO 4 , monoclinic, P 2 1 / c (no. 14), a = 14.616(2) Å, b = 14.657(2) Å, c = 7.3864(12) Å, β = 103.627(7) ° , V = 1537.8(4) Å 3 , Z = 4, R gt ( F ) = 0.0315, w R ref ( F 2 ) = 0.0935, T = 100 K.
Open Access
Crystal structure of bis(μ₂-benzenesulfonato-κ²O:O′)-bis(μ₂-6,6′-((ethane-1,2-diylbis(azaneylylidene))bis(methaneylylidene))-bis(2-methoxyphenolato-κ⁶O,O′:O′,N,N′,O′′:O′′,O′′′))disodium(I)dicopper(II)

January 15, 2024

Deyang Ma, Shaoliang Zhang, Yanlan Wang, Shanshan Li

Page range: 219-221

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C 48 H 46 Cu 2 N 4 Na 2 O 14 S 2 , triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 11.2259(11) Å, b = 11.6492(11) Å, c = 11.7594(12) Å, α = 11.2259(11)°, β = 11.6492(11)°, γ = 11.7594(12)°, V = 1248.5(2) Å 3 , Z = 1, R gt ( F ) = 0.0554, wR ref ( F 2 ) = 0.1605, T = 173 K.
Open Access
The crystal structure of (E)-1,2-bis(benzo[e][1,2]azaborinin-2(1H)-yl)ethene, C₁₈H₁₆B₂N₂

February 6, 2024

Jing Zhou

Page range: 223-225

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C 18 H 16 B 2 N 2 , monoclinic, C 2/ c (no. 15), a = 34.048(12) Å, b = 5.720(2) Å, c = 7.666(3) Å, β = 96.803°, V = 1482.5(9) Å 3 , Z = 4, R gt ( F ) = 0.0412, wR ref ( F 2 ) = 0.1152, T = 150 K.
Open Access
Crystal structure of 3-oxo-urs-12-en-28-benzyl ester, C₃₇H₅₂O₃

January 15, 2024

Juan Zhang, Gui-Ge Hou, Feng-Lan Zhao, Qing-Guo Meng

Page range: 227-229

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C 37 H 52 O 3 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 8.2477(3) Å, b = 19.2976(7) Å, c = 19.6372(4) Å, V = 3125.47(17) Å 3 , Z = 4, R gt ( F ) = 0.0558, w R ref ( F 2 ) = 0.1728, T = 293 K. CCDC No. : 2283347
Open Access
The crystal structure of ethyl (E)-1-chloro-3-(4-chloro-1-methyl-1H-indole-2-carbonyl)-4-oxo-2-phenylcyclooct-2-ene-1-carboxylate, C₂₇H₂₅Cl₂NO₄

January 4, 2024

Mengdan Wang, Bingli Pan, Weiwei Lu, Fengmin Wu, Jun-Ying Ma

Page range: 231-233

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C 27 H 25 Cl 2 NO 4 , monoclinic, P 2 1 / n (no. 14), a = 18.9834(7) Å, b = 8.5683(3) Å, c = 30.4308(12) Å, β = 93.832(1)°, V = 4938.7(3) Å 3 , Z = 8, R gt ( F ) = 0.0655, wR ref ( F 2 ) = 0.2089, T = 296(2) K.
Open Access
The crystal structure of 4,4′-((5-bromo-2-iodo-1,3-phenylene)bis(oxy))bis(tert-butylbenzene) ─ ethanol (2/1), C₂₆H₂₈BrIO₂

January 5, 2024

Bangjin Sun, Zhenlong Tu

Page range: 235-237

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C 26 H 28 BrIO 2 , orthorhombic, Pbcn (no. 60), a = 20.2691(4) Å, b = 24.2958(5) Å, c = 10.5433(2) Å, V = 5192.09(18) Å 3 , Z = 8, R gt ( F ) = 0.0483, w R ref ( F 2 ) = 0.1406, T = 220 K.
Open Access
Crystal structure of (E)-1-(4-(benzyloxy)-2-hydroxyphenyl)-3-(dimethylamino)prop-2-en-1-one, C₁₈H₁₉NO₃

January 4, 2024

Hua-Bin Wang, Lian-Hua Xu, Ju-Mei Shi, Wei-Zhong Li

Page range: 239-240

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C 18 H 19 NO 3 , monoclinic, P 2 1 / c (no. 14), a = 8.9529(3) Å, b = 13.5984(4) Å, c = 12.8403(5) Å, β = 101.572(4)°, R gt ( F ) = 0.0458, wR ref ( F 2 ) = 0.1395, V = 1532.54(9) Å 3 , Z = 4, T = 150 K.
Open Access
The crystal structure of N1,N3-bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)\ propanediamide hydrate, C₂₅H₂₆N₆O₄, 2(H₂O)

January 24, 2024

Mark G. Smith, Andreas Lemmerer

Page range: 241-243

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C 25 H 26 N 6 O 4 , 2(H 2 O), triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 9.8423(6) Å, b = 11.2923(7) Å, c = 13.3810(8) Å, α = 69.053(3)°, β = 73.926(4)°, γ = 68.979(3)°, V = 1277.49(14) Å 3 , Z = 2, R gt ( F ) = 0.0757, wR ref ( F 2 ) = 0.2364, T = 173 K.
Open Access
The crystal structure of 2,5-bis[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]cyclohexa-2,5-diene-1,4-dione, C₂₈H₂₆N₆O₄

January 24, 2024

Mark G. Smith, Andreas Lemmerer

Page range: 245-246

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C 28 H 26 N 6 O 4 , monoclinic, P 2 1 / n (no. 14), a = 13.0398(4) Å, b = 7.1786(2) Å, c = 14.9824(5) Å, β = 112.642(2)°, V = 1294.37(7) Å 3 , Z = 2, R gt ( F ) = 0.0458, w R ref ( F 2 ) = 0.1133, T = 173 K.
Open Access
Crystal structure of 3,4-bis[2-(hydroxymethyl)-pyrrolidin-1-yl] cyclobut-3-ene-1,2-dione hydrate, C₁₄H₂₂N₂O₅

January 5, 2024

Yiyu Wang, Xiaolin Dang, Mo Du, Meimei Zhao, Wenqiang Tang

Page range: 247-248

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C 14 H 22 N 2 O 5 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 8.0704(12) Å, b = 9.0136(13) Å, c = 20.596(3) Å, V = 1498.2(4) Å 3 , Z = 4, R gt ( F ) = 0.0429, wR ref ( F 2 ) = 0.1112, T = 296 K.
Open Access
The crystal structure of 2-(3,4–dichlorobenzyl)-1H-benzimidazole, C₁₄H₁₀Cl₂N₂

January 15, 2024

Shu-Fen Hou, Ailing Zhang, Chunling Xin, Mengran Fan

Page range: 249-250

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C 14 H 10 Cl 2 N 2 , monoclinic, P 2 1 / n (no. 14), a = 9.4145(9) Å, b = 14.8530(15) Å, c = 10.0405(11) Å, β = 116.714(5)°, V = 1254.1(2) Å 3 , Z = 4, R gt ( F ) = 0.0653, wR ref ( F 2 ) = 0.1901, T = 293 K.
Open Access
The crystal structure of 2-(2-((4,6-dimethoxypyrimidin-2-yl)oxy)phenyl)-4-(piperidin-1-yl)-5H-chromeno[2,3-d]pyrimidine, C₂₈H₂₇N₅O₄

January 24, 2024

Dongtai Xie, Sufang Lei, Yuanxiang Li

Page range: 251-253

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C 28 H 27 N 5 O 4 , monoclinic, P 2 1 / c (no. 14), a = 11.3563(15) Å, b = 17.547(2) Å, c = 12.8390(16) Å, β = 101.385(3)°, V = 2508.1(6) Å 3 , Z = 4, R gt ( F ) = 0.0538, wR ref ( F 2 ) = 0.1329, T = 292(2) K.
Open Access
The crystal structure of 6-(benzofuran-2-yl)-2-oxo-4,5-diphenyl-3,4-dihydro-2H-pyran-3-carbonitrile, C₂₆H₁₇NO₃

January 4, 2024

Miao-Chang Liu, Xiao-Bo Huang, Deng-Ze Wu

Page range: 255-256

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C 26 H 17 NO 3 , monoclinic, Cc (no. 9), a = 20.044(2) Å, b = 10.7294(9) Å, c = 9.4232(8) Å, β = 91.689(3) ° , V = 2025.6(3) Å 3 , Z = 4, R gt ( F ) = 0.0360, wR ref ( F 2 ) = 0.0814, T = 293(2) K.
Open Access
Crystal structure of N-(4-bromobenzyl)-3-(difluoromethyl)-1-methyl-N-(pyridin-2-yl)-1H-pyrazole-4-carboxamide, C₁₈H₁₅BrF₂N₄O

January 15, 2024

Ya-Li Liu, Hua-Jin Zhang, Juan Luo, Shang-Xing Chen, Ji Zhang

Page range: 257-259

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C 18 H 15 BrF 2 N 4 O, monoclinic, C 2/ c (no. 15), a = 22.984(4) Å, b = 10.0726(16) Å, c = 16.551(3) Å, β = 107.972(2)°, V = 3644.8(10) Å 3 , Z = 8, R gt ( F ) = 0.0412, wR ref ( F 2 ) = 0.1051, T = 296(2) K.
Open Access
The crystal structure of the host-guest complex: N^′-{5-[2-(2,6-dimethylphenoxy)acetamido]-4-hydroxy-1,6-diphenylhexan-2-yl}-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide-diethyl ether (2/1)

January 19, 2024

Tebogo M. L. Mokoto, Andreas Lemmerer, Yasien Sayed, Mark G. Smith

Page range: 261-264

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2(C 37 H 48 N 4 O 5 ), C 4 H 10 O, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 11.8629(3) Å, b = 23.3541(6) Å, c = 27.4519(7) Å, V = 7605.5(3) Å 3 , Z = 4, R gt ( F ) = 0.0355, w R ref ( F 2 ) = 0.0979, T = 123 K.
Open Access
The crystal structure of (Z)-4-amino-N^′-(1-(4-hydroxyphenyl)propylidene)benzohydrazide, C₁₆H₁₇N₃O₂

January 4, 2024

Wen-Jin Yao, Cheng-Liang Feng

Page range: 265-267

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C 16 H 17 N 3 O 2 , monoclinic, P 2 1 / n (no. 14), a = 9.3503(9) Å, b = 9.1998(8) Å, c = 17.7180(18) Å, β = 97.636(9)°, V = 1510.6(3) Å 3 , Z = 4, R gt ( F ) = 0.0564, wR ref ( F 2 ) = 0.1439, T = 293 K.
Open Access
The crystal structure of diethyl 1,4-dihydro-2,6-dimethyl-4-(3-cyanophenyl)-3,5-pyridinedicarboxylate, C₂₀H₂₂N₂O₄

February 6, 2024

Zhang Li, Yu Hai-yan, Wang Ying-lei, Sun Ke-nan, Tian Ye

Page range: 269-271

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C 20 H 22 N 2 O 4 , monoclinic, P 2 1 / n (no. 14), a = 11.4033(15) Å, b = 14.2998(16) Å, c = 11.6486(16) Å, β = 91.197(8)°, V = 1899.1(4) Å 3 , Z = 4, R gt ( F ) = 0.0513, wR ref ( F 2 ) = 0.1542, T = 296.2 K.
Open Access
Crystal structure of 3-(5-((4-(difluoromethoxy)phenyl) sulfonyl)-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrol-2(1H)-yl) oxetane-3-carboxamide, C₁₇H₁₉F₂N₃O₅S

February 6, 2024

Bin Liu, Xiaona Xu, Hongjuan Tong, Yanjiao Wang, Zhoujing Zhu

Page range: 273-275

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C 17 H 19 F 2 N 3 O 5 S, monoclinic, P 2 1 / c (no. 14), a = 14.157(7) Å, b = 11.133(6) Å, c = 11.400(6) Å, β = 91.965(13)°, V = 1795.6(16) Å 3 , Z = 4, R gt ( F ) = 0.0611 wR ref ( F 2 ) = 0.1809, T = 205 K.
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Crystal structure of 2-((2,6-dichloro-4-(3,5-dimethylisoxazol-4-yl)phenyl)amino)-N-(2-(4-methylpiperazin-1-yl)ethyl)benzamide hydrate, C₂₅H₃₇Cl₂N₅O₆

February 6, 2024

Xiaona Xu, Wenqiang Tang, Zhoujing Zhu, Bin Liu

Page range: 277-279

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C 25 H 37 Cl 2 N 5 O 6 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 8.115(4) Å, b = 8.656(4) Å, c = 22.641(9) Å, α = 81.344(9)°, β = 80.173(9)°, γ = 65.833(8)°, V = 1423.9(10) Å 3 , Z = 2, R gt ( F ) = 0.0652, wR ref ( F 2 ) = 0.2010, T = 173 K.
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Crystal structure of 3-(benzo[d]thiazol-2-yl)-5-bromo-2-hydroxybenzaldehyde, C₁₄H₈BrNO₂S

February 6, 2024

Wen-Ze Zhao

Page range: 281-283

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C 14 H 8 BrNO 2 S, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 4.7405(2) Å, b = 14.5781(5) Å, c = 18.3358(6) Å, V = 1267.14(8) Å 3 , Z = 4, R gt ( F ) = 0.0318, wR ref ( F 2 ) = 0.0774, T = 273(2) K.
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Crystal structure of 3-(difluoromethyl)-1-methyl-N-(pyridin-2-yl)-1H-pyrazole-4-carboxamide, C₁₁H₁₀F₂N₄O

February 2, 2024

Xie Zi-Yin, Xiao Shu-Zhen, Wang Jie, Liu Shu-Juan, Peng Da-Yong

Page range: 285-287

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C 11 H 10 F 2 N 4 O, monoclinic, P 2 1 / n (no. 14), a = 8.7616(10) Å, b = 14.2418(17) Å, c = 9.7191(12) Å, β = 107.6020°, V = 1156.0(2) Å 3 , Z = 4, R gt ( F ) = 0.0431, wR ref ( F 2 ) = 0.1263, T = 296(2) K.
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Crystal structure of 3-(2-ethoxy-2-oxoethyl)-1-isopropyl-1H-imidazol-3-ium hexafluoridophosphate(V), C₂₀H₃₄F₁₂N₄P₂

January 15, 2024

Su-Qin Wu, Shi-Shun Chen, Yi-Chen Zou, Xu-Liang Nie, Wan-Ming Xiong

Page range: 289-291

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[C 20 H 34 F 12 N 4 P 2 ], triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 8.4322(10) Å, b = 13.6360(16) Å, c = 13.8381(16) Å, α = 89.9960(10)°, β = 105.5320(10)°, γ = 90.0150(10)°, V = 1533.0(3) Å 3 , Z = 2, R gt ( F ) = 0.0613, wR ref ( F 2 ) = 0.1966, T = 296(2) K.
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Crystal structure of ethyl 5,6-dichloro-2-methyl-2,3-dihydro-1 H-benzo[d]imidazole-2-carboxylate, C₁₁H₁₂Cl₂N₂O₂

January 5, 2024

Tao Li, Zhen Yao

Page range: 293-294

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C 11 H 12 Cl 2 N 2 O 2 , monoclinic, P 2 1 / c (no. 14), a = 19.937(2) Å, b = 5.7080(8) Å, c = 23.406(3) Å, β = 108.521(4) ° , V = 2525.7(6) Å 3 , Z = 8, R gt ( F ) = 0.0483, wR ref ( F 2 ) = 0.1171, T = 200 K.
Open Access
The crystal of structure of (OC-6-22)-pentakis(acetonitrile)bromidoruthenium(II)bromide monohydrate, C₁₀H₁₅Br₂N₅Ru

February 6, 2024

Kgaugelo C. Tapala, Hadley S. Clayton

Page range: 295-297

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C 10 H 15 Br 2 N 5 Ru, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 7.9081(4) Å, b = 8.4334(4) Å, c = 25.9374(13) Å, V = 1729.82(15) Å 3 , Z = 4, R gt ( F ) = 0.0637, wR ref ( F 2 ) = 0.1579, T = 173(2) K.
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Crystal structure of (2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(((4aS,5R,6S)-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl)oxy)tetrahydro-2H-pyran-3-yl 2,3-dihydroxybenzoate hydrate, C₂₃H₂₆O₁₂·H₂O

February 16, 2024

Xue Zeng, Yuanjiao Feng, Lei Shi, Wenwu Zhong, Yahui Niu

Page range: 299-301

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C 23 H 26 O 12 ·H 2 O, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 6.2630(6) Å, b = 17.5649(18) Å, c = 21.929(2) Å, V = 2412.4(4) Å 3 , Z = 4, R gt ( F ) = 0.0381, wR ref ( F 2 ) = 0.1017, T = 296 K.
Open Access
The crystal structure of (E)-4-amino-N′-(1-(4-fluorophenyl)propylidene)benzohydrazide, C₁₆H₁₆FN₃O

February 6, 2024

Jianqiang Cui, Yahuan Yuwen, Meimei Zhao, Bin Liu

Page range: 303-304

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C 16 H 16 FN 3 O, orthorhombic, Pbca (no. 61), a = 12.5936(10) Å, b = 7.7308(9) Å, c = 29.568(3) Å, V = 2878.7(5) Å 3 , Z = 8, R gt ( F ) = 0.0872, wR ref ( F 2 ) = 0.1893, T = 293 K.
Open Access
The crystal structure of 2′-(9H-carbazol-9-yl)-[1,1′-binaphthalen]-2-amine, C₃₂H₂₂N₂

February 21, 2024

Bangjin Sun, Zhenlong Tu

Page range: 305-307

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C 32 H 22 N 2 , monoclinic, P 2 1 (no. 4), a = 8.6317(2) Å, b = 30.8744(9) Å, c = 8.7616(3) Å, β = 100.328(3)°, V = 2297.12(12) Å 3 , Z = 4, R gt ( F ) = 0.0511, w R ref ( F 2 ) = 0.1378, T = 169.99(10) K.
Open Access
Crystal structure of poly[μ₃-diiodido-[μ₂-di(1H-pyrazol-1-yl)methane-κ²N,N′)]dicopper(I)], C₇H₈Cu₂I₂N₄

February 5, 2024

Yidong Zhang, Chao Feng

Page range: 309-311

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C 7 H 8 Cu 2 I 2 N 4 , monoclinic, I 2 (no. 5), a = 9.3131(14) Å, b = 4.2354(6) Å, c = 14.959(2) Å, β = 92.583(13)°, V = 2143.4(2) Å 3 , Z = 2, R gt ( F ) = 0.0277, w R ref ( F 2 ) = 0.0672, T = 293 K.
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Crystal structure of 3-amino-N′-hydroxy-1H-pyrazole-4-carboximidamide, C₄H₇N₅O

February 8, 2024

Yunlu Li

Page range: 313-314

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C 4 H 7 N 5 O, monoclinic, P 2 1 (no. 4), a = 4.855(3) Å, b = 9.026(5) Å, c = 7.092(4) Å, β = 103.267(7)°, V = 302.5(3) Å 3 , Z = 2, R gt ( F ) = 0.0385, wR ref ( F 2 ) = 0.1183, T = 296(2) K.
Open Access
The crystal structure of 1,3-diacetyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione, C₈H₁₀O₄N₄

February 5, 2024

Bai Sha, Liu Guangqi, Chen Jun, Wang Jianlong

Page range: 315-316

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C 8 H 10 O 4 N 4 , triclinic, P 1 ‾ $\bar{1}$ (no. 2), a = 5.0069(7) Å, b = 8.4593(10) Å, c = 11.3565(14) Å, α = 84.986(4)°, β = 78.693(4)°, γ = 79.928(4)°, V = 463.69(10) Å 3 , Z = 8, R gt ( F ) = 0.0524, wR ref ( F 2 ) = 0.1330, T = 170 K.
Open Access
Crystal structure of catena-poly[aqua-(μ₂-1,4-diazabicyclo[2.2.2]octane-k²N: N′)-bis(sorbato-κ¹O)-copper(II), C₁₈H₂₈CuN₂O₅

February 6, 2024

Minkyun Shin, Jaeun Kang, Kang Min Ok, Junghwan Do

Page range: 317-318

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C 18 H 28 CuN 2 O 5 , orthorhombic, Pmmn (no. 59), a = 6.8107(1) Å, b = 24.3351(5) Å, c = 6.0304(1) Å, V = 999.47(3) Å 3 , Z = 2, R gt ( F ) = 0.0266, wR ref ( F 2 ) = 0.0676, T = 296(2) K.
Open Access
Crystal structure of catena-poly[triaqua-(μ₂ -1-(4-carboxylatophenyl)-4-oxo-1,4-dihydropyridazine-3-carboxylato-κ³O,O′:O′′)manganese(II)], C₁₂H₁₂N₂O₈Mn

February 20, 2024

Zhang Yan, Ge Jing, Zhou Peng

Page range: 319-321

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C 12 H 12 N 2 O 8 Mn, orthorhombic, Pbca (no. 61), a = 11.5651(15) Å, b = 9.4169(12) Å, c = 25.634(3) Å, V = 2791.7(6) Å 3 , Z = 8, R gt ( F ) = 0.0402, wR ref ( F 2 ) = 0.1166, T = 296.15 K.
Open Access
The crystal structure of [hexaaquamagnesium(II)] 4-[(pyridine-4-carbonyl)-amino]-phthalate trihydrate, C₁₄H₂₆N₂O₁₄Mg

February 20, 2024

Kong Fan-Yuan, Kong Xiang-Yan, Pan Xiao-Ru, Tai Xi-Shi

Page range: 323-325

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C 14 H 26 N 2 O 14 Mg, triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 7.0646(2) Å, b = 8.5008(2) Å, c = 17.2402(2) Å, α = 86.230(2)°, β = 81.415(2)°, γ = 82.768(2)°, V = 1014.45(4) Å 3 , Z = 2, R gt ( F ) = 0.0340, wR ref ( F 2 ) = 0.0904, T = 216(40) K.
Open Access
Crystal structure of 1-(p-tolylphenyl)-4-(2-furoyl)-3-methyl-1H-pyrazol-5-ol, C₁₆H₁₄N₂O₃

February 20, 2024

Qiong Wu, Zhen-Yu Huang, Yun-Xin Liu, Heng-Qiang Zhang, Tong-Yin Jin, Yu-Na Xue, Chang Liu

Page range: 327-329

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C 16 H 14 N 2 O 3 , monoclinic, P 2 1 / n (no. 14), a = 4.9621(10) Å, b = 11.828(2) Å, c = 23.727(5) Å, β = 94.527(4)°, V = 1388.2(5) Å 3 , Z = 4, R gt ( F ) = 0.0551, wR ref ( F 2 ) = 0.1847, T = 296(2) K.
Open Access
The crystal structure of bis(1,4,7,10,13-pentaoxacyclopentadecane)-potassium(I) dichloridocopper(I), C₂₀H₄₀Cl₂CuKO₁₀

February 21, 2024

Ji Qi, En-Ying Bai, Chun-Ting Zhang

Page range: 331-333

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C 20 H 40 Cl 2 CuKO 10 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 9.0148(5) Å, b = 9.3066(5) Å, c = 17.7296(10) Å, α = 78.383 ( 2 ) ° $78.383(2){}^{\circ}$ , β = 88.488 ( 2 ) ° $88.488(2){}^{\circ}$ , γ = 72.982 ( 2 ) ° $72.982(2){}^{\circ}$ , V = 1392.35(13) Å 3 , Z = 2, R gt ( F ) = 0.0781, wR ref ( F 2 ) = 0.2089, T = 170(2) K.
Open Access
The crystal structure of tris(tetra-n-butylammonium) hexanitrato-κ²O,O′-lanthanium(III) C₄₈H₁₀₈N₉O₁₈La

February 20, 2024

Tai Xi-Shi

Page range: 335-338

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C 48 H 108 N 9 O 18 La, monoclinic, P 2 1 / n (no. 14), a = 16.5000(10) Å, b = 22.5924(14) Å, c = 17.4287(10) Å, β = 90.875(5)°, V = 6496.2(7) Å 3 , Z = 4, R gt ( F ) = 0.0716, wR ref ( F 2 ) = 0.1706, T = 100 K.

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