Zeitschrift für Kristallographie - New Crystal Structures

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Zeitschrift für Kristallographie - New Crystal Structures

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Frontmatter

24. Februar 2021

Seiten: i-vi

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New Crystal Structures
Open Access
The crystal structure of 4-hydroxybenzene-1,3-diaminium dichloride, C₆H₁₀Cl₂N₂O

23. November 2020

Kina Muller, Eric C. Hosten, Richard Betz

Seiten: 281-283

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C 6 H 10 Cl 2 N 2 O, triclinic, P 1‾$‾{1}$ (no. 2), a = 4.8274(4) Å, b = 8.0556(7) Å, c = 12.0648(10) Å, α = 71.237(4)°, β = 78.739(4)°, γ = 72.950(4)°, V = 422.06(6) Å 3 , Z = 2, R gt ( F ) = 0.0225, wR ref ( F 2 ) = 0.0614, T = 190 K.
Open Access
The crystal structure of 3-chloropropylammonium chloride, C₃H₉Cl₂N

23. November 2020

Kina Muller, Eric C. Hosten, Richard Betz

Seiten: 285-286

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C 3 H 9 Cl 2 N, monoclinic, I 2/ a (no. 15), a = 8.7694(5) Å, b = 9.6963(6) Å, c = 14.8577(9) Å, β = 98.266(3)°, V = 1250.24(13) Å 3 , Z = 8, R gt ( F ) = 0.0193, wR ref ( F 2 ) = 0.0511, T = 200 K.
Open Access
The crystal structure of 1-chloro-2-(dimethylamino)ethane hydrochloride, C₄H₁₁Cl₂N

19. November 2020

Kina Muller, Eric C. Hosten, Richard Betz

Seiten: 287-289

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C 4 H 11 Cl 2 N, monoclinic, I 2/ a (no. 15), a = 13.2374(12) Å, b = 8.2108(6) Å, c = 14.0114(14) Å, β = 93.294(8)°, V = 1520.4(2) Å 3 , Z = 8, R gt ( F ) = 0.0398, wR ref ( F 2 ) = 0.1174, T = 200 K.
Open Access
Crystal structure of N-(2-(trifluoromethyl)phenyl)hexanamide, C₁₃H₁₆F₃NO

9. Dezember 2020

Eric C. Hosten, Richard Betz

Seiten: 291-292

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C 13 H 16 F 3 NO, triclinic, P 1‾$‾{1}$ (no. 2), a = 4.7889(4) Å, b = 11.7867(10) Å, c = 12.5323(11) Å, α = 100.762(5)°, β = 100.232(4)°, γ = 100.683(4)°, V = 666.19(10) Å 3 , Z = 2, R gt ( F ) = 0.0531, wR ref ( F 2 ) = 0.1760, T = 200 K.
Open Access
Redetermination of the crystal structure of para-toluidine, C₇H₉N

23. November 2020

Eric C. Hosten, Richard Betz

Seiten: 293-295

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C 7 H 9 N, orthorhombic, Pna 2 1 (no. 33), a = 8.9239(5) Å, b = 5.9550(3) Å, c = 23.1168(11) Å, V = 1228.47(11) Å 3 , Z = 8, R gt ( F ) = 0.0367, wR ref ( F 2 ) = 0.1019, T = 200 K.
Open Access
The crystal structure of bis(1,3-dihydroxy-2-methylpropan-2-aminium) carbonate, C₉H₂₄N₂O₇

13. November 2020

Eric C. Hosten, Richard Betz

Seiten: 297-299

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C 9 H 24 N 2 O 7 , monoclinic, P 2 1 / n (no. 14), a = 11.1646(7) Å, b = 6.3264(4) Å, c = 18.6926(9) Å, β = 97.5994(18)°, V = 1308.69(13) Å 3 , Z = 4, R gt ( F ) = 0.0385, wR ref ( F 2 ) = 0.1057, T = 200 K.
Open Access
The crystal structure of 4-chloro-1-methylpiperidin-1-ium chloride, C₆H₁₃Cl₂N

12. November 2020

Kina Muller, Eric C. Hosten, Richard Betz

Seiten: 301-303

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C 6 H 13 Cl 2 N, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 6.0087(3) Å, b = 10.1176(6) Å, c = 14.3532(7) Å, V = 872.58(8) Å 3 , Z = 4, R gt ( F ) = 0.0304, wR ref ( F 2 ) = 0.0632, T = 200 K.
Open Access
Crystal structure of (Z)-3-(6-bromo-1H-indol-3-yl)-1,3-diphenylprop-2-en-1-one, C₂₃H₁₆BrNO

10. Dezember 2020

Fei Pan, Xian Wei, Menglan Lan Lv

Seiten: 305-306

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C 23 H 16 BrNO, triclinic, P1‾$P‾{1}$ (no. 2), a = 9.914(3) Å, b = 10.141(3) Å, c = 10.179(3) Å, α = 90.177(5)°, β = 112.202(5)°, γ = 95.167(5)°, V = 942.9(4) Å 3 , Z = 2, R gt ( F ) = 0.0520, wR ref ( F 2 ) = 0.1351, T = 296 K. CCDC no.: 2043972
Open Access
The crystal structure of ethyl 2-amino-4-(3,5-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, C₂₀H₂₁F₂NO₄

10. Dezember 2020

Soon Young Shin, Miri Yoo, Dongsoo Koh

Seiten: 307-309

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C 20 H 21 F 2 NO 4 , triclinic, P1‾$P‾{1}$ (no. 2), a = 8.6363(11) Å, b = 9.9144(11) Å, c = 11.8734(15) Å, α = 81.891(4)°, β = 72.889(4)°, γ = 80.972(3)°, V = 954.7(2) Å 3 , Z = 2, R gt ( F ) = 0.0466, wR ref ( F 2 ) = 0.1339, T = 223(2) K.
Open Access
Crystal structure of 6,6'‐((1E,1'E)‐(propane‐1,3‐diylbis(azaneylylidene))bis(methaneylylidene))bis(3‐bromophenol), C₃₄H₃₂Br₄N₄O₄

14. Dezember 2020

Liang Jiao, Hui Tian, Man Wang, Tianyu Li, Qiong Wu

Seiten: 311-313

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C 34 H 32 Br 4 N 4 O 4 , M r = 880.27, monoclinic, C 2 (no. 5), a = 10.6239(7) Å, b = 10.8034(9) Å, c = 28.959(3) Å, β = 99.611(2)°, V = 3277.1(4) Å 3 , Z = 4, R gt ( F ) = 0.0391, wR ref ( F 2 ) = 0.0922, T = 150.0 K.
Open Access
The crystal structure of (E)-2-(2-((2-picolinoylhydrazono)methyl)phenoxy)acetic acid dihydrate, C₁₅H₁₇N₃O₆

3. Dezember 2020

Tai Xi-Shi, Ren Zhen, Liu Li-Li, Zhang Ai-Ling, Wang Li-Hua

Seiten: 315-316

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C 15 H 17 N 3 O 6 , triclinic, P1‾$P‾{1}$ (no. 2), a = 7.2155(8) Å, b = 10.7519(8) Å, c = 10.8562(8) Å, α = 107.910(7), β = 97.087(8), γ = 100.409(7) V = 773.69(12) Å 3 , Z = 2, R gt ( F ) = 0.0500, wR ref ( F 2 ) = 0.1238, T = 150(1) K.
Open Access
Crystal structure of (E)-4-bromo-N′-(3-chloro-2-hydroxybenzylidene)benzohydrazide, C₁₄H₁₀BrClN₂O₂

2. Dezember 2020

Xindi Xu, Xun Ma, Meifen Huang, Tianyu Li, Qiong Wu

Seiten: 317-318

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C 14 H 10 BrClN 2 O 2 , orthorhombic, Pca 2 1 (no. 29), a = 32.4137(12) Å, b = 4.6683(2) Å, c = 8.8873(3) Å, V = 1344.80(9) Å 3 , Z = 4, R gt ( F ) = 0.0239, wR ref ( F 2 ) = 0.0611, T = 150(2) K.
Open Access
Crystal structure of N,N′-bis(4-bromosalicylidene) ethylene-1,2-diaminopropan, C₃₄H₃₂Br₄N₄O₄

3. Dezember 2020

Tianyu Li, Xindi Xu, Man Wang, Xia Wang, Qiong Wu

Seiten: 319-321

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C 34 H 32 Br 4 N 4 O 4 , M r = 880.27, monoclinic, P 2 1 / n (no. 14), a = 16.3126(5) Å, b = 6.9654(2) Å, c = 29.300(1) Å, β = 92.726(1)°, V = 3325.41(18) Å 3 , Z = 4, R gt ( F ) = 0.0349, wR ref ( F 2 ) = 0.0799, T = 150(2) K.
Open Access
Crystal structure of 4-bromo-N′-[(3-bromo-2-hydroxyphenyl)methylidene]benzohydrazide methanol solvate, C₁₅H₁₄Br₂N₂O₃

4. Dezember 2020

Xindi Xu, Xun Ma, Meifen Huang, Tianyu Li, Qiong Wu

Seiten: 323-324

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C 15 H 14 Br 2 N 2 O 3 , triclinic, P1‾$P‾{1}$ (no. 2), a = 7.2748(3) Å, b = 9.0786(4) Å, c = 12.8613(5) Å, α = 99.458(2)°, β = 100.401(2)°, γ = 99.499(2)°, V = 807.35(6) Å 3 , Z = 2, R gt ( F ) = 0.0253, wR ref ( F 2 ) = 0.0673, T = 150.0 K.
Open Access
The crystal structure of 1,2-bis(1H-benzo[d]imidazol-2-yl)ethane-1,2-diol — N-(2-aminophenyl)-3-(1H-benzo[d]imidazol-2-yl)-2,3-dihydroxypropanamide (1/1), C₃₂H₃₀N₈O₅

15. Februar 2021

Candyce R. Clark, Eric C. Hosten, Richard Betz

Seiten: 325-327

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C 32 H 30 N 8 O 5 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 9.1258(4) Å, b = 10.6225(5) Å, c = 30.1870(14) Å, V = 2926.3(2) Å 3 , Z = 4, R gt ( F ) = 0.0367, wR ref ( F 2 ) = 0.0837, T = 200 K.
Open Access
The crystal structure of para-trifluoromethyl-aniline hemihydrate, C₁₄H₁₄F₆N₂O

15. Februar 2021

Eric C. Hosten, Richard Betz

Seiten: 329-331

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C 14 H 14 F 6 N 2 O, orthorhombic, Pbcn (no. 60), a = 17.7552(12) Å, b = 10.7574(9) Å, c = 8.0207(7) Å, V = 1532.0(2) Å 3 , Z = 4, R gt ( F ) = 0.0415, wR ref ( F 2 ) = 0.1154, T = 200 K.
Open Access
Redetermination of the crystal structure of 2-amino-2-methyl-propane-1,3-diole, C₄H₁₁NO₂

15. Februar 2021

Eric C. Hosten, Richard Betz

Seiten: 333-334

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C 4 H 11 NO 2 , monoclinic, P 2 1 / n (no. 14), a = 6.0864(4) Å, b = 10.9696(8) Å, c = 8.5928(5) Å, β = 93.360(3)°, V = 572.72(7) Å 3 , Z = 4, R gt ( F ) = 0.0307, wR ref ( F 2 ) = 0.0891, T = 200 K.
Open Access
The crystal structure of methacholine chloride, C₈H₁₈ClNO₂

15. Februar 2021

Kina Muller, Eric C. Hosten, Richard Betz

Seiten: 335-337

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C 8 H 18 ClNO 2 , monoclinic, P 2 1 / c (no. 14), a = 6.8110(5) Å, b = 8.8779(7) Å, c = 17.2774(16) Å, β = 97.582(4)°, V = 1035.59(15) Å 3 , Z = 4, R gt ( F ) = 0.0484, wR ref ( F 2 ) = 0.0922, T = 200 K.
Open Access
Crystal structure of 5,7,7-trimethyl-4,6,7,8-tetrahydrocyclopenta[g]isochromen-1(3H)-one, C₁₅H₁₈O₂

23. Dezember 2020

Kaixin Tian, Yanhong Wang, Miaomiao Xun, Changchun Yuan, Kai Fu

Seiten: 339-340

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C 15 H 18 O 2 , monoclinic, P 2 1 / n (no. 14), a = 12.7072(5) Å, b = 11.2947(6) Å, c = 17.7857(7) Å, β = 95.807(1)°, V = 2539.6(2) Å 3 , Z = 8, R gt ( F ) = 0.0606, wR ref ( F 2 ) = 0.1759, T = 170 K.
Open Access
Crystal structure of poly[diammine-bis(μ₄-4-hydroxypyridine-3-sulfonato-κ⁵N:O, O′:O′′:O′′)(μ₂-pyrazinyl-κ²N:N′)tetrasilver(I)], C₇H₈Ag₂N₃O₄S

9. Dezember 2020

Han‐Lin Zhao, Jin‐Ke Jiang, Yu‐Tong Chu, Gang‐Mei Li, Xi‐Xi Li, Xin Jin

Seiten: 341-342

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C 7 H 8 Ag 2 N 3 O 4 S, triclinic, P 1‾$‾{1}$ (no. 2), a = 7.3758(3) Å, b = 8.7361(4) Å, c = 9.2906(4) Å, α = 112.877(4)°, β = 90.054(4)°, γ = 102.568(4)°, V = 535.90(4) Å 3 , Z = 2, R gt ( F ) = 0.0235, wR ref ( F 2 ) = 0.0600, T = 293(2) K.
Open Access
Crystal structure of ethyl (E)-5-(((3′,6′-bis(ethylamino)-3-oxospiro[isoindoline-1,9′-xanthen]-2-yl)imino)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate — ethanol (1/1), C₃₈H₄₅N₅O₅

17. Februar 2021

Xiao-Li Gao, Shu-Shu Jia, Rui Su

Seiten: 343-345

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C 38 H 45 N 5 O 5 , triclinic, P 1‾ (no. 2), a = 11.3541(16) Å, b = 12.1833(17) Å, c = 14.409(2) Å, α = 68.240(2)°, β = 76.613(3)°, γ = 88.873(3)°, V = 1796.0(4) Å 3 , Z = 2, R gt ( F ) = 0.0620, wR ref ( F 2 ) = 0.2023, T = 296 K.
Open Access
Crystal structure of 4-bromo-N′-[(3-chloro-2-hydroxyphenyl)methylidene]benzohydrazide, C₁₄H₇Br₂N₂O₂

16. Dezember 2020

Xindi Xu, Hui Tian, Xia Wang, Man Wang, Qiong Wu

Seiten: 347-348

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C 14 H 7 Br 2 N 2 O 2 , triclinic, P 2 1 / n (no. 14), a = 4.8308(2) Å, b = 6.1438(2) Å, c = 23.0836(9) Å, β = 91.0784(14)°, V = 684.99(4) Å 3 , Z = 2, R gt ( F ) = 0.0477, wR ref ( F 2 ) = 0.1108, T = 150.0 K. CCDC No.: 2043231
Open Access
Redetermination of the crystal structure of 3,3,3-triphenylpropanoic acid, C₂₁H₁₈O₂ – Deposition of hydrogen atomic coordinates

12. Februar 2021

Eric C. Hosten, Richard Betz

Seiten: 349-351

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C 21 H 18 O 2 , triclinic, P 1‾$‾{1}$ (no. 2), a = 9.8213(6) Å, b = 9.9212(6) Å, c = 10.0400(6) Å, α = 65.510(2)°, β = 63.539(2)°, γ = 84.842(2)°, V = 791.59(8) Å 3 , Z = 2, R gt ( F ) = 0.0463, wR ref ( F 2 ) = 0.1101, T = 200 K.
Open Access
Structure redetermination of dextromethorphan hydrobromide monohydrate, C₁₈H₂₈BrNO₂ – localization of hydrogen atoms

12. Februar 2021

Kina Muller, Eric C. Hosten, Richard Betz

Seiten: 353-355

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C 18 H 28 BrNO 2 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 7.0417(4) Å, b = 9.1635(5) Å, c = 27.3371(15) Å, V = 1763.97(17) Å 3 , Z = 4, R gt ( F ) = 0.0275, wR ref ( F 2 ) = 0.0596, T = 200 K.
Open Access
Crystal structure of tris(azido-κ¹N)-(N-(2-aminoethyl)-N-methyl-1,3-propanediamine-κ³N,N′,N′′)cobalt(III), C₇H₁₉CoN₁₂

10. Dezember 2020

Tianyu Li, Xindi Xu, Meifen Huang, Man Wang, Qiong Wu

Seiten: 357-358

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C 7 H 19 CoN 12 , monoclinic, P 2 1 / c (no. 14), a = 7.7111(2) Å, b = 10.9909(3) Å, c = 17.5650(4) Å, β = 113.7570(10)°, V = 1362.52(6) Å 3 , Z = 4, R gt ( F ) = 0.0266, wR ref ( F 2 ) = 0.0718, T = 150(2) K.
Open Access
Crystal structure of tetraaqua-bis(1H-indazole-6-carboxylate-κN)cadmium (II), C₁₆H₁₈CdN₄O₈

14. Dezember 2020

Ying-Dong Lan, Chun-Lan Xiong, Cui-xin Huang, Wan-Ming Xiong, Xu-Liang Nie

Seiten: 359-361

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C 16 H 18 CdN 4 O 8 , monoclinic, P 2 1 / c (no. 14), a = 6.2751(4) Å, b = 21.7902(13) Å, c = 13.3401(8) Å, β = 90.793(1)°, V = 1823.89(19) Å 3 , Z = 4, R gt ( F ) = 0.0252, wR ref ( F 2 ) = 0.0603, T = 296(2) K.
Open Access
Crystal structure of dichloride-bis(1-propylimidazole-κ¹N)zinc(II), C₁₂H₂₀Cl₂N₄Zn

14. Dezember 2020

Bingchuan Yang, Gang Liu, Yong Wang

Seiten: 363-365

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C 12 H 20 Cl 2 N 4 Zn, monoclinic, P 2 1 / n (no. 14), a = 9.9915(9) Å, b = 13.0923(12) Å, c = 13.1894(13) Å, β = 98.794(2)°, V = 1705.0(3) Å 3 , Z = 4, R gt ( F ) = 0.0453, wR ref ( F 2 ) = 0.1248, T = 298(2) K.
Open Access
Crystal structure of (E)-resveratrol 3-O-β-D-xylopyranoside, C₁₉H₂₂O₈

10. Dezember 2020

Qing Tang, Huan-Yong Li, Zhong-Nan Wu, Ming Yan, Yu-Bo Zhang, Yao-Lan Li, Guo-Cai Wang

Seiten: 367-368

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C 19 H 22 O 8 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 4.63150(10) Å, b = 9.4846(3) Å, c = 39.7929(11) Å, V = 1748.02(8) Å 3 , Z = 4, R gt ( F ) = 0.0340, wR ref ( F 2 ) = 0.0892, T = 150 K.
Open Access
Crystal structure of 3,3′-(1,2-phenylene-bis(methylene))bis(1-vinyl- 1H-imidazol-3-ium) bis(hexafluoro phosphate)(V), C₁₈H₂₀F₁₂N₄P₂

10. Dezember 2020

Huang Ting, Chen Jin-Zhu, Nie Xu-Liang, Chen Jing, Xiong Wan-Ming

Seiten: 369-371

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C 18 H 20 F 12 N 4 P 2 , monoclinic, P 2 1 / n (no. 14), a = 8.3185(9) Å, b = 21.883(2) Å, c = 13.4345(15) Å, β = 103.4730(10)°, V = 2378.3(5) Å 3 , Z = 4, R gt ( F ) = 0.0470, wR ref ( F 2 ) = 0.1305, T = 296(2) K.
Open Access
Crystal structure of diaqua[bis(benzimidazol-2-yl-methyl)amine-κ³N,N′,N″]-phthalato-κ¹O-nickel(II)-methanol (1/2), C₂₆H₃₁N₅NiO₈

17. Dezember 2020

Yu-Xiao Chen, Zhong-Ping Luo, He Zhang, Feng-Mei Nie

Seiten: 373-375

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C 26 H 31 N 5 NiO 8 , monoclinic, P 2 1 / n (no. 14), a = 12.554(3) Å, b = 12.401(3) Å, c = 18.718(5) Å, β = 107.844(3)°, V = 2774.0(12) Å 3 , Z = 4, R gt ( F ) = 0.0438, wR ref ( F 2 ) = 0.1175, T = 153(2) K.
Open Access
Crystal structure of 6,7-difluoro-1-methyl-3-(trifluoromethyl)quinoxalin-2(1H)-one, C₁₀H₅F₅N₂O

10. Dezember 2020

Xia Mi, Xuehui Hou, Beibei Cui

Seiten: 377-378

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C 10 H 5 F 5 N 2 O, monoclinic, P 2 1 / c (no. 14), a = 9.3018(2) Å, b = 25.1396(7) Å, c = 8.9439(2) Å, β = 102.005(3)°, V = 2045.72(10) Å 3 , Z = 8, R gt ( F ) = 0.0458, wR ref ( F 2 ) = 0.1345, T = 293(2) K.
Open Access
Crystal structure of dichlorido-bis(1-hexyl-1H-benzotriazole-k¹N)zinc(II), C₂₄H₃₄N₆Cl₂Zn

21. Dezember 2020

Xiao-jing Liu, E. Liu, Ze-shen Jin, Zhuang-yu Li, Fang-fang Jian, Tong-ling Liang

Seiten: 379-381

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C 24 H 34 N 6 Cl 2 Zn, monoclinic, P 2 1 / c (no. 14), a = 9.513(3) Å, b = 9.546(3) Å, c = 30.956(10) Å, β = 101.228(9)°, V = 2757.3(15) Å 3 , Z = 4, R gt ( F ) = 0.0452, wR ref ( F 2 ) = 0.1299, T = 293 K.
Open Access
The crystal structre of 2-(4-bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine, C₁₆H₁₂BBrN₂

10. Dezember 2020

Siyi Ding, Min Zhu, Zong-Cheng Miao

Seiten: 383-384

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C 16 H 12 BBrN 2 , monoclinic, P 2 1 (no. 4), a = 4.7061(3) Å, b = 10.4639(6) Å, c = 13.5675(8) Å, β = 97.512(2)°, V = 662.39(7) Å 3 , Z = 2, R gt ( F ) = 0.0384, wR ref ( F 2 ) = 0.0995, T = 189.98 K.
Open Access
Crystal structure of diethyl 3,9-bis(4-fluorophenyl)-6,12-diphenyl-3,9-diazapentacyclo[6.4.0.0^2,7.0^4,11]dodecane-1,5-dicarboxylate, C₄₀H₃₆F₂N₂O₄

21. Dezember 2020

Han-Qiao Shao, Yuan-Ming Lu, Qi-Wei Lin, Yu-Cai Wang, Yue-Sheng Xie

Seiten: 385-386

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C 40 H 36 F 2 N 2 O 4 , monoclinic, P 2 1 / c (no. 14), a = 8.0755(7) Å, b = 19.7663(19) Å, c = 10.1987(9) Å, β = 95.940(2)°, V = 1619.2(3) Å 3 , Z = 4, R gt ( F ) = 0.0465, wR ref ( F 2 ) = 0.1188, T = 296 K.
Open Access
Crystal structure of (E)-7-methoxy-2-((5-methoxypyridin-3-yl)methylene)-3,4- dihydronaphthalen-1(2H)-one, C₁₈H₁₇NO₃

21. Dezember 2020

Ming-Zhu Luan, Qing-Guo Meng

Seiten: 387-389

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C 18 H 17 NO 3 , triclinic, P1‾$P‾{1}$ (no. 2), a = 7.3950(5) Å, b = 8.6697(5) Å, c = 11.6813(9) Å, α = 85.457(6)°, β = 76.712(6)°, γ = 82.759(5)°, V = 722.07(9) Å 3 , Z = 2, R gt ( F ) = 0.0502, wR ref ( F 2 ) = 0.1342, T = 99.9(3) K.
Open Access
Crystal structure of (E)-2-chloro-6-(((1,3-dihydroxy-2-(oxidomethyl)propan-2-yl)imino)methyl)phenolate-κ³N,O,O’)manganese(IV), C₂₂H₂₄Cl₂MnN₂O₈

23. Dezember 2020

Xindi Xu, Xia Wang, Hui Tian, Man Wang, Qiong Wu

Seiten: 391-392

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C 22 H 24 Cl 2 MnN 2 O 8 , monoclinic, C 2/ c (no. 15), a = 11.0944(4) Å, b = 18.2945(9) Å, c = 11.9283(5) Å, β = 114.3299(12)°, V = 2206.03(16) Å 3 , Z = 4, R gt ( F ) = 0.0305, wR ref ( F 2 ) = 0.0791, T = 150.0 K.
Open Access
The crystal structure of α-(meta-methoxyphenoxy)-ortho-tolylic acid, C₁₅H₁₄O₄

12. Februar 2021

Eric C. Hosten, Richard Betz

Seiten: 393-395

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C 15 H 14 O 4 , monoclinic, C 2/ c (no. 15), a = 27.1122(8) Å, b = 6.4295(2) Å, c = 14.7495(4) Å, β = 91.7070(10)°, V = 2569.96(13) Å 3 , Z = 8, R gt ( F ) = 0.0387, wR ref ( F 2 ) = 0.1091, T = 200 K.
Open Access
The crystal structure of N-(2-chloroethyl)-N,N-diethylammonium chloride, C₆H₁₅Cl₂N

12. Februar 2021

Kina Muller, Eric C. Hosten, Richard Betz

Seiten: 397-399

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C 6 H 15 Cl 2 N, triclinic, P 1‾$‾{1}$ (no. 2), a = 6.9579(4) Å, b = 8.1852(5) Å, c = 8.7912(5) Å, α = 66.606(2)°, β = 86.105(3)°, γ = 89.834(2)°, V = 458.30(5) Å 3 , Z = 2, R gt ( F ) = 0.0226, wR ref ( F 2 ) = 0.0599, T = 200 K.
Open Access
The crystal structure of tris(2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ium) trihydrodecavanadate(V), C₂₇H₅₄N₆O₂₈V₁₀

21. Dezember 2020

Yueyang Huo, Qingpeng He, Yong Wang

Seiten: 401-404

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C 27 H 54 N 6 O 28 V 10 , triclinic, P1‾$P‾{1}$ (no. 2), a = 11.3803(3) Å, b = 14.0832(4) Å, c = 16.2352(7) Å, α = 91.784(3) Å, β = 104.264(3) Å, γ = 107.112(2) Å, V = 2395.04(14) Å 3 , Z = 2, R gt ( F ) = 0.0291, wR ref ( F 2 ) = 0.0810, T = 293(2) K.
Open Access
Crystal structure of 1,3-bis(octyl)benzimidazolium perchlorate C₂₃H₃₉ClN₂O₄

18. Dezember 2020

Xiao-jing Liu, Zhuang-yu Li, E Liu, Fang-fang Jian, Tong-ling Liang

Seiten: 405-407

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C 23 H 39 ClN 2 O 4 , triclinic, P1‾$P‾{1}$ (no. 2), a = 9.0752(19) Å, b = 9.542(2) Å, c = 16.049(3) Å, α = 99.088(4)°, β = 94.422(4)°, γ = 107.146(4)°, V = 1300.0(5) Å 3 , Z = 2, R gt ( F ) = 0.0646, wR ref ( F 2 ) = 0.2298, T = 293.0 K.
Open Access
Crystal structure of tetrakis[(Z)-(2-(1-(furan-2-yl)-2-methylpropylidene)-1-phenylhydrazin-1-ido-κ²N,N′)] zirconium(IV), C₅₆H₆₀N₈O₄Zr

18. Dezember 2020

Xin-E. Duan, Yu-Hang Wang, Sheng-Di Bai, Hong-Bo Tong, Bin-Shen Liu

Seiten: 409-412

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C 56 H 60 N 8 O 4 Zr, monoclinic, C 2/ c (no. 15), a = 24.665(4) Å, b = 18.836(3) Å, c = 25.425(6) Å, β = 114.364(4)°, V = 10760(4) Å 3 , Z = 8, R gt ( F ) = 0.0550, wR ref ( F 2 ) = 0.1239, T = 296(2) K.
Open Access
The crystal structure of 2-(naphthalen-2-yloxy)-4-phenyl-6-(prop-2-yn-1-yloxy)-1,3,5-triazine, C₂₂H₁₅N₃O₂

18. Dezember 2020

Jin Li, Zhenyu Zuo, Yan Chen, Yali Liu, Dachuan Yin

Seiten: 413-415

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C 22 H 15 N 3 O 2 , triclinic, P1‾$P‾{1}$ (no. 2), a = 5.7613(4) Å, b = 12.3545(7) Å, c = 13.3427(8) Å, α = 110.002(2)°, β = 98.837(2)°, γ = 94.263(2)°, V = 873.55(9) Å 3 , Z = 2, R gt ( F ) = 0.0471, wR ref ( F 2 ) = 0.1376, T = 293 K.
Open Access
The crystal structure of trimethylsulfonium tris(trifluoromethylsulfonyl)methanide, C₇H₉F₉O₆S₄

8. Januar 2021

Raphael Wirthensohn, Maik Finze

Seiten: 417-419

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C 7 H 9 F 9 O 6 S 4 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 8.80180(10) Å, b = 10.96580(10) Å, c = 16.91360(10) Å, V = 1632.48(3) Å 3 , Z = 4, R gt ( F ) = 0.0222, wR ref ( F 2 ) = 0.0604, T = 100 K.
Open Access
Crystal structure of 4-bromo-N′-[3,5-dichloro-2-hydroxyphenyl)methylidene]benzohydrazide methanol solvate, C₁₅H₁₃BrCl₂N₂O₃

21. Dezember 2020

Xindi Xu, Meifen Huang, Man Wang, Tianyu Li, Qiong Wu

Seiten: 421-423

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C 15 H 13 BrCl 2 N 2 O 3 , monoclinic, P 2 1 / c (no. 14), a = 7.4135(4) Å, b = 13.3008(8) Å, c = 16.9956(7) Å, β = 104.445(2)°, V = 1622.88(15) Å 3 , Z = 4, R gt ( F ) = 0.0380, wR ref ( F 2 ) = 0.1031, T = 150(2) K.
Open Access
The crystal structure of 4-(4-bromophenyl)-2-(3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)thiazole, C₂₄H₁₆Br₂FN₃S

8. Januar 2021

Mohammed A. Baashen, Bakr F. Abdel-Wahab, Amany S. Hegazy, Benson M. Kariuki, Gamal A. El-Hiti

Seiten: 425-427

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C 24 H 16 Br 2 FN 3 S, monoclinic, P 2 1 / n (no. 14), a = 14.9517(9) Å, b = 5.4857(3) Å, c = 27.9582(17) Å, β = 102.434(6)°, V = 2239.4(2) Å 3 , Z = 4, R gt ( F ) = 0.0444, wR ref ( F 2 ) = 0.1237, T = 296 K.
Open Access
The crystal structure of N-(adamantan-1-yl)-piperidine-1-carbothioamide, C₁₆H₂₆N₂S

24. Dezember 2020

Ahmed Bari, Eric C. Hosten, AlObaid Abdulrahman, Ghani Usman

Seiten: 429-430

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C 16 H 26 N 2 S, monoclinic, P 2 1 / n (no. 14), a = 6.4855(4) Å, b = 20.1110(12) Å, c = 11.2575(7) Å, β = 92.014(2)°, V = 1467.41(16) Å 3 , Z = 4, R gt ( F ) = 0.0324, wR ref ( F 2 ) = 0.0889, T = 200 K.
Open Access
The crystal structure of 1-phenyl-N-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide-dimethylformamide (1/1) C₂₂H₁₀Br₄N₄O₃S

18. Dezember 2020

Mohammed A. Baashen, Bakr F. Abdel-Wahab, Amany S. Hegazy, Benson M. Kariuki, Gamal A. El-Hiti

Seiten: 431-433

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C 22 H 10 Br 4 N 4 O 3 S, monoclinic, P 2 1 / c (no. 14), a = 9.3725(6) Å, b = 20.0436(12) Å, c = 15.3281(11) Å, β = 102.896(6)°, V = 2806.9(3) Å 3 , Z = 4, R gt ( F ) = 0.0575, wR ref ( F 2 ) = 0.1566, T = 296 K.
Open Access
The crystal structure of benzeneseleninic acid anhydride, C₁₂H₁₀O₃Se₂

11. Februar 2021

Eric C. Hosten, Richard Betz

Seiten: 435-437

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C 12 H 10 O 3 Se 2 , triclinic, P 1‾$‾{1}$ (no. 2), a = 9.1794(3) Å, b = 11.5706(5) Å, c = 12.3976(5) Å, α = 85.291(2)°, β = 72.198(2)°, γ = 74.084(2)°, V = 1205.65(8) Å 3 , Z = 4, R gt ( F ) = 0.0275, wR ref ( F 2 ) = 0.0698, T = 200 K.
Open Access
The crystal structure of diphenyalmine hydrochloride antimony trichloride co-crystallizate, C₁₂H₁₂Cl₄NSb – Localization of hydrogen atoms

12. Februar 2021

Arthur Averdunk, Eric C. Hosten, Richard Betz

Seiten: 439-441

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C 12 H 12 Cl 4 NSb, monoclinic, P 2 1 / n (no. 14), a = 5.6693(2) Å, b = 20.2385(7) Å, c = 14.3908(5) Å, β = 100.3830(10)°, V = 1624.14(10) Å 3 , Z = 4, R gt ( F ) = 0.0192, wR ref ( F 2 ) = 0.0430, T = 200 K.
Open Access
The crystal structure of para-nitrobenzylbromide, C₇H₆BrNO₂ – A second polymorph and correction of 3D coordinates

12. Februar 2021

Eric C. Hosten, Richard Betz

Seiten: 443-445

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C 7 H 6 BrNO 2 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 4.7019(6) Å, b = 6.4700(9) Å, c = 25.283(4) Å, V = 769.14(19) Å 3 , Z = 4, R gt ( F ) = 0.0294, wR ref ( F 2 ) = 0.0671, T = 200 K.
Open Access
Crystal structure of catena-poly[(5H-pyrrolo[3,2-b:4,5-b′]dipyridine-κ₂N,N′)-(μ⁴-hexaoxidodivanadato)dizinc(II)],C₁₀H₉N₃O₆V₂Zn

11. Januar 2021

Bingchuan Yang, Xueyan Lv, Gang Liu, Rutao Liu

Seiten: 447-449

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C 10 H 9 N 3 O 6 V 2 Zn, monoclinic, C 2/ c (no. 15), a = 8.0106(17) Å, b = 29.957(6) Å, c = 12.050(3) Å, β = 95.025(4) Å, V = 2880.6(10) Å 3 , Z = 8, R gt ( F ) = 0.0512, wR ref ( F 2 ) = 0.1975, T = 296(2) K.
Open Access
Crystal structure of N,N′-(2-hydroxypropane-1,3-diyl)bis(pyridine-2-aldimine)-κ⁵N,N′,N′′,N′′′,O]-tris(nitrato-κ²O,O′) cerium(III), C₁₅H₁₆CeN₇O₁₀

8. Januar 2021

Wen-Jing Bai, Mei-Ye Jia, Feng-Mei Nie

Seiten: 451-453

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C 15 H 16 CeN 7 O 10 , monoclinic, P 2 1 / n (no. 14), a = 7.8762(12) Å, b = 21.330(3) Å, c = 13.181(2) Å, β = 99.536(2) ∘ , V = 2183.8(6) Å 3 , Z = 4, R gt ( F ) = 0.0285, wR ref ( F 2 ) = 0.0523, T = 103 K.
Open Access
Synthesis and crystal structure of oktakis(dimethylsulphoxide-κ¹O)gadolinium(III) [tetrabromido-μ₂-bromido-μ₂-sulfido-di-μ₃-sulfido-μ₄-sulfido-tetracopper(I)-tungsten(VI)], C₁₆H₄₈O₈S₁₂Br₅Cu₄GdW

8. Januar 2021

Yunfeng Ye, Guodong Tang, Jun Qian

Seiten: 455-457

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C 16 H 48 O 8 S 12 Br 5 Cu 4 GdW, monoclinic, P 2 1 (no. 4), a = 11.576(2) Å, b = 12.407(3) Å, c = 17.582(3) Å, β = 100.76(3)°, V = 2480.8(9) Å 3 , Z = 2, R gt ( F ) = 0.0446, wR ref ( F 2 ) = 0.1169, T = 293 K.
Open Access
Crystal structure of {tris((1H-benzo[d]imidazol-2- yl)methyl)amine-κ⁴N,N′,N′′,N′′′}-(succinato-κ²O,O′)nickel(II) – methanol (1/4), C₃₂H₄₁N₇NiO₈

12. Januar 2021

Tian-Xu Qiao, Yu-Xiao Chen, Jing-Yi An, Feng-Mei Nie

Seiten: 459-461

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C 32 H 41 N 7 NiO 8 , monoclinic, P 2 1 / c (no. 14), a = 10.0076(5) Å, b = 18.6561(10) Å, c = 19.0893(18) Å, β = 108.532(6)°, V = 3378.4(4) Å 3 , Z = 4, R gt ( F ) = 0.0607, wR ref ( F 2 ) = 0.1340, T = 111.9(1) K.
Open Access
Crystal structure of catena-poly[trans-tetraaqua(μ₂-1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol)-k²N:N′)cobalt(II)] dinitrate – 1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol) – water (1/3/2), C₇₂H₆₈CoN₁₈O₁₂

13. Januar 2021

Huixing Li, Xinlong Han, Bin Cao

Seiten: 463-465

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C 72 H 68 CoN 18 O 12 , triclinic, P1‾$P‾{1}$ (no. 2), a = 9.2801(10) Å, b = 11.6017(11) Å, c = 16.4968(15) Å, α = 96.294(8)°, β = 96.371(8)°, γ = 105.025(9)°, V = 1687.0(3) Å 3 , Z = 1, R gt ( F ) = 0.0631, wR ref ( F 2 ) = 0.1043, T = 293(2) K.
Open Access
Crystal structure of bis(μ₂-2-oxido-2-phenylacetate-κ³O:O,O′)-bis(1-isopropoxy-2-oxo-2-phenylethan-1-olato-κ²O,O′)-bis(propan-2-olato-κ¹O)dititanium(IV), C₄₄H₅₂O₁₄Ti₂

13. Januar 2021

Yu Youzhu, Guo Yuhua, Niu Yongsheng, Liu Nana, Zhang Hongfei

Seiten: 467-469

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C 44 H 52 O 14 Ti 2 , orthorhombic, Pbca (no. 61), a = 15.0005(7) Å, b = 15.9478(8) Å, c = 18.4438(10) Å, V = 4412.2(4) Å 3 , Z = 4, R gt ( F ) = 0.0372, wR ref ( F 2 ) = 0.1089, T = 296(2) K.
Open Access
The crystal structure of 5-carboxy-2-(hydroxymethyl)-1H-imidazol-3-ium-4-carboxylate, C₆H₈N₂O₆

15. Februar 2021

Candyce R. Clark, Eric C. Hosten, Richard Betz

Seiten: 471-473

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C 6 H 8 N 2 O 6 , monoclinic, P 2 1 / c (no. 14), a = 7.4709(4) Å, b = 14.2051(9) Å, c = 7.3198(4) Å, β$\beta $ = 97.096(4)°, V = 770.86(8) Å 3 , Z = 4, R gt ( F ) = 0.0346, wR ref ( F 2 ) = 0.0946, T = 200 K.
Open Access
The crystal structure of 2,6-dibromo-4-fluoroaniline, C₆H₄Br₂FN

12. Februar 2021

Eric C. Hosten, Richard Betz

Seiten: 475-477

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C 6 H 4 Br 2 FN, monoclinic, P 2 1 / c (no. 14), a = 17.0332(5) Å, b = 4.34070(10) Å, c = 21.9732(5) Å, β = 109.6910(10)°, V = 1529.61(7) Å 3 , Z = 8, R gt ( F ) = 0.0256, wR ref ( F 2 ) = 0.0518, T = 200 K.
Open Access
The crystal structure of 4-chloro-N-(2-phenoxyphenyl)benzamide, C₁₉H₁₄ClNO₂

12. Februar 2021

Eric C. Hosten, Richard Betz

Seiten: 479-481

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C 19 H 14 ClNO 2 , monoclinic, P 2 1 / c (no. 14), a = 19.328(4) Å, b = 7.1086(12) Å, c = 11.627(2) Å, β = 99.417(9)°, V = 1576.0(5) Å 3 , Z = 4, R gt ( F ) = 0.0582, wR ref ( F 2 ) = 0.1615, T = 200 K.
Open Access
The crystal structure of 2-methyl-β-naphthothiazole, C₁₂H₉NS

12. Februar 2021

Eric C. Hosten, Richard Betz

Seiten: 483-485

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C 12 H 9 NS, monoclinic, P 2 1 / n (no. 14), a = 5.0743(5) Å, b = 14.0545(13) Å, c = 13.3319(17) Å, β = 91.102(5)°, V = 950.61(18) Å 3 , Z = 4, R gt ( F ) = 0.0322, wR ref ( F 2 ) = 0.0908, T = 200 K.

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