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Zeitschrift für Kristallographie - New Crystal Structures

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Volume 239, Issue 5

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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

August 23, 2024

Page range: i-vi

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Editorial
Open Access
Editorial 2024 – New developments and changes of Zeitschrift für Kristallographie – New Crystal Structures

July 23, 2024

Guido J. Reiss, On behalf of the Editorial Team of Zeitschrift für Kristallographie – New Crystal Structures

Page range: 811-812

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New Crystal Structures
Open Access
Hydrogen bonding and π⋅⋅⋅halogen interactions in the crystal structure of bis(theophyllinium) hexachloridoplatinate(IV) monohydrate

July 26, 2024

Guido J. Reiss, Maik Wyshusek, Jana C. Rheinländer, Irina S. Konovalova

Page range: 813-816

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C 14 H 20 Cl 6 N 8 O 5 Pt, monoclinic, P 2 1 / n (no. 14), a = 13.4907(2) Å, b = 13.32240(10) Å, c = 13.8035(2) Å, β = 102.241(1) ∘ , Z = 4, V = 2424.48(5) Å 3 , R gt ( F ) = 0.0256, wR ref ( F 2 ) = 0.0740, T = 290 K.
Open Access
The crystal structure of 6-amino-2-carboxypyridin-1-ium perchlorate, C₆H₇ClN₂O₆

June 19, 2024

Yalong Xing, Guang Huang

Page range: 817-818

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C 6 H 7 ClN 2 O 6 , monoclinic, P 2 1 / c (no. 14), a = 9.2699(5) Å, b = 12.5329(6) Å, c = 7.9536(5) Å, β = 99.472(6)°, V = 911.44(9) Å 3 , Z = 4, R gt ( F ) = 0.0442, w R ref ( F 2 ) = 0.1120, T = 292.98(10) K.
Open Access
Crystal structure of poly[(μ4-(3-amino-1H-1,2,4-triazol-1-yl)benzene-1,3-dicarboxylato-κ⁴N:O:O':O')(1-methylpyrroldin-2-one-κ¹O)dicopper(II)] – 1-methylpyrroldin-2-one (1/3), C₄₀H₄₈Cu₂N₁₂O₁₂

July 23, 2024

Yu-Pei Xia, Yu-Xin Huang

Page range: 819-822

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C 40 H 48 Cu 2 N 12 O 12 , monoclinic, P 2 1 / n (no. 14), a = 10.9519(1) Å, b = 17.4351(2) Å, c = 24.4288(3) Å, β = 102.143(1)°, V = 4560.25(9) Å 3 , Z = 4, R gt ( F ) = 0.0647, w R ref ( F 2 ) = 0.1904, T = 120 K.
Open Access
The crystal structure of 18-crown-6-k⁶O⁶(2,4,5-trinitroimidazol-1-ido-k¹O)potassium(I)

August 7, 2024

Hou Haibin, Jin Guoliang, Su Hongping, Chen Lizhen, Wang Jianlong

Page range: 823-824

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C 15 H 24 KN 5 O 2 , orthorhombic, Pbcn (no. 60), a = 14.0281(6) Å, b = 13.4110(6) Å, c = 12.2842(5) Å, V = 2311.04(17) Å 3 , Z = 4, R gt ( F ) = 0.0358, wR ref ( F 2 ) = 0.0994, T = 150 K.
Open Access
Crystal structure of poly[tetraaqua-bis(μ₂-5-bromoisophthalato-κ³O,O^′:O^″)-(μ₂-1,5-bis(imidazol-2-methyl)pentane-κ²N:N^′)dicadmium(II)] dihydrate

July 8, 2024

Chen Xiang-Yu, Yao Xin-Tong, Cui Ying, Chen Man-Sheng

Page range: 825-827

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C 29 H 48 Br 2 Cd 2 N 4 O 14 , monoclinic, C 2/ c (no. 15), a = 17.225(2) Å, b = 11.2454(13) Å, c = 20.710(2) Å, β = 109.151(3) ∘ , V = 3789.5(8) Å 3 , Z = 4, R gt ( F ) = 0.0326, w R ref ( F 2 ) = 0.0818, T = 296(2) K.
Open Access
Crystal structure of (5R,6S,E)-5-acetoxy-2-methyl-6-((2aR,3R,5aS,5bS,11aR,12aS)-2a,5a,8,8-tetramethyl-9-oxotetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthren-3-yl)hept-2-enoic acid, C₃₂H₄₈O₅

July 23, 2024

Ting-Kai Li, Li Xiao, Peng Wei, Jiang-Hai Ye, Chen-Liang Zhao, Kang He, Juan Zou

Page range: 829-831

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C 32 H 48 O 5 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 7.1564(10) Å, b = 17.542(3) Å, c = 23.134(4) Å, V = 2904.2(8) Å 3 , Z = 4, R gt ( F ) = 0.0555, wR ref ( F 2 ) = 0.1343, T = 273(2) K.
Open Access
The crystal structure of poly[diaqua-bis(μ₂ -thiocyanato-κ²N:O)cobalt(II) monohydrate

June 19, 2024

Guo-Zhu Liu, Kai-Ping Xie, Zong-Jun Li, Zhu-Jun Long, Jie-Wei Liu, Zong-Wen Mo

Page range: 833-834

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C 2 H 6 S 2 N 2 O 3 Co, monoclinic, C 2/ c (no. 15), a = 12.4340(7) Å, b = 6.0522(4) Å, c = 10.6851(8) Å, β = 90.543(6)°, V = 804.05(9) Å 3 , Z = 4, R gt ( F ) = 0.0200, wR ref ( F 2 ) = 0.0499, T = 298(2) K.
Open Access
The crystal structure of 1,3,5-tri(1H-imidazol-1-yl)benzene–2,3,5,6-tetrachlorobenzene-1,4-dicarboxylic acid (1/1)

June 20, 2024

Airong Wang, Xiaoli Wang, Yanfei Wang, Zhongfeng Shi, Jiaming Li

Page range: 835-838

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C 23 H 14 Cl 4 N 6 O 4 , triclinic, P 1̄ (no. 2), a = 9.044(2) Å, b = 11.340(2) Å, c = 11.812(3) Å, α = 95.470(17)°, β = 105.46(2)°, γ = 90.084(18)°, V = 1161.8(5) Å 3 , Z = 2, R gt ( F ) = 0.0914, wR ref ( F 2 ) = 0.2547, T = 296 K.
Open Access
Crystal structure of dichlorido-bis(1-[(2-ethyl-benzimidazole-1-yl)methyl]-1H–benzotriazole) cadmium(II), C₃₂H₃₂CdN₁₀OCl₂

June 19, 2024

Jing Yang, Tan-Peng Zhou, Meng-Meng Cao, Xia Wang

Page range: 839-841

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C 32 H 32 CdN 10 OCl 2 , monoclinic, C 2/ c (no. 15), a = 28.820(3) Å, b = 13.1075(2) Å, c = 16.7266(19) Å, β = 149.29(3)°, Z = 4, V = 3226.9(15) Å 3 , R gt ( F ) = 0.0341, wR ref ( F 2 ) = 0.0893, T = 293(2) K.
Open Access
The crystal structure of N′-(tert-butyl)-N′-(3,5-dimethylbenzoyl)-3-methoxy-N,2-dimethylbenzohydrazide, C₂₃H₃₀N₂O₃

August 2, 2024

Jiangyu Zheng, Wenhao Tang, Haiyu Pan

Page range: 843-845

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C 23 H 30 N 2 O 3 , monoclinic, P 2 1 / c (no. 14), a = 15.4357(14) Å, b = 7.2340(7) Å, c = 21.8274(17) Å, β = 114.881(5) ∘ , V = 2211.1(3) Å 3 , Z = 4, R gt ( F ) = 0.0492, wR ref ( F 2 ) = 0.1284, T = 293 K.
Open Access
Crystal stucture of 3-benzamido-N-(2-bromo-4-(perfluoropropan-2-yl)-6-(trifluoromethyl)phenyl)-2-fluorobenzamide

July 23, 2024

Haiyan Zhang, Kai Fu

Page range: 847-849

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C 24 H 12 BrF 11 N 2 O 2 , M = 648.26 g/mol, triclinic, P 1̄ (no. 2), a = 8.9871(10) Å, b = 9.6519(10) Å, c = 13.8769(13) Å, α = 88.141(3)°, β = 83.049(3)°, γ = 87.821(4)°, V = 1193.5(2) Å 3 , Z = 2, R gt ( F ) = 0.0604, w R ref ( F 2 ) = 0.1624, T = 170 K.
Open Access
Crystal structure of bis(μ-benzeneselenolato)-(tetracarbonyl)-{μ-[N-(diphenylphosphanyl)-N-(3-ethynylphenyl)-P,P-diphenylphosphinous amide]} diiron, C₄₈H₃₅Fe₂NO₄P₂Se₂

July 8, 2024

Shuang Lü, Qian-Li Li

Page range: 851-853

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C 48 H 35 Fe 2 NO 4 P 2 Se 2 , monoclinic, P 2 1 / c , a = 20.3289(18) Å, b = 12.6909(11) Å, c = 17.6743(16) Å, β = 109.767(4) ∘ , V = 4291.1(7) Å 3 , Z = 4, R gt (F) = 0.0638, wR ref ( F 2 ) = 0.1439, T = 298(2) K.
Open Access
The crystal structure of 2′-(p-tolyl)-4′H-spiro[isochromane-1,1′-naphthalene]-3,4′-dione, C₂₅H₁₈O₃

July 8, 2024

Mengdan Wang, Jianyue Li, Yinhai Zhou, Zhenquan Han, Guoda Wang, Jun-Ying Ma

Page range: 855-856

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C 25 H 18 O 3 , triclinic, P 1̄ (no. 2), a = 9.0717(14) Å, b = 10.2237(15) Å, c = 10.9385(18) Å, α = 101.415(4)°, β = 91.524(4)°, γ = 112.807(3)°, V = 910.7(2) Å 3 , Z = 2, R gt ( F ) = 0.0517, wR ref ( F 2 ) = 0.1427, T = 293(2) K.
Open Access
The crystal structure of poly[hexaqua-tetrakis(μ₄-pyridine-2,4-dicarboxylate-κ⁵N: O: O′: O″: O‴)-bi(μ₂-pyridine-2,4-dicarboxylate-κ³N: O: O′)-digadolinium(III)tricopper (II)], [Gd₂Cu₃(C₇H₃NO₄)₆(H₂O)₆]_n

August 7, 2024

Xiang-Ping Pan, Zhao-Yan Ping, Yue Tong, Wei-Wei Zhou

Page range: 857-859

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[Gd 2 Cu 3 (C 7 H 3 NO 4 ) 6 (H 2 O) 6 ] n , triclinic, P 1̄ (no. 2), a = 9.4244(8) Å, b = 10.6875(9) Å, c = 12.2795(11) Å, α = 86.189(1)°, β = 81.500(1)°, γ = 86.605(1)°, V = 1209.0(2) Å 3 , Z = 1, R gt ( F ) = 0.0337, wR ref ( F 2 ) = 0.0692, T = 296 K.
Open Access
Crystal structure of poly[bis(4-(4-(pyridin-4-yl)phenyl)pyridin-1-ium-κ¹N)-(μ₄-benzene-1,2,4,5-tetracarboxylato-κ⁵O:O′: O″:O‴:O⁗)-(μ₂-2,5-dicarboxyterephthalato-κ²O:O′)dizinc(II)], C₅₂H₃₂N₄O₁₆Zn₂

August 7, 2024

Fan Fan

Page range: 861-864

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C 52 H 32 N 4 O 16 Zn 2 , monoclinic, P 2 1 / c (no. 14), a = 27.6424(8) Å, b = 9.6359(3) Å, c = 16.8129(7) Å, β = 95.408(3)°, V = 4,458.3(3) Å 3 , Z = 4, R gt ( F ) = 0.0654, wR ref ( F 2 ) = 0.1966, T = 296(2) K.
Open Access
The crystal structure of 4-(3-carboxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium 2-carboxy-6-nitrobenzoate monohydrate, C₂₄H₂₅FN₄O₁₀

July 1, 2024

Yu-Yun Sun, Zhan-Ning Gu, Cheng-Jun Jiang

Page range: 865-867

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C 24 H 25 FN 4 O 10 , triclinic, P 1̄ (no. 2), a = 7.7217(3) Å, b = 9.9451(4) Å, c = 15.9291(6) Å, α = 101.741(1) ∘ , β = 98.762(1) ∘ , γ = 96.148(1) ∘ , V = 1171.56(8) Å 3 , Z = 2, R gt ( F ) = 0.0389, wR ref ( F 2 ) = 0.1162, T = 170 K.
Open Access
Crystal structure of dichlorido-(1-((3,5-dimethyl-2,3-dihydro-1H-1,2,3-triazol-1-yl)methyl)-1H-benzo[d][1,2,3]triazole-k¹N)zinc(II), C₂₂H₂₄ZnN₁₂Cl₂

August 8, 2024

Zhenyu Jin, Tanpeng Zhou, Yanju Liu

Page range: 869-871

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C 22 H 24 ZnN 12 Cl 2 , monoclinic, P 2 1 / n (no. 14), a = 8.3494(3) Å, b = 11.1678(3) Å, c = 27.8876(8) Å, β = 92.102(3)°, Z = 4, V = 2598.62(15) Å 3 , R gt ( F ) = 0.0572, wR ref ( F 2 ) = 0.1535, T = 293(2) K.
Open Access
The crystal structure of (3-chlorothiophene-2-carboxylato-κ²O, O′)-(2,2′-dipyridyl-κ²N,N′)lead(II), C₂₀H₁₂Cl₂N₂O₄S₂Pb

August 1, 2024

Zhongyu Zhang, Chunhua Fu, Wan Sun, Chunmeng Dong

Page range: 873-875

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C 20 H 12 Cl 2 N 2 O 4 S 2 Pb, monoclinic, P 2 1 / c (no. 14), a = 13.2710(4) Å, b = 16.7810(4) Å, c = 9.6857(2) Å, β = 96.5550(1)°, V = 2142.91(9) Å 3 , Z = 4, R gt ( F ) = 0.0314, wR ref ( F 2 ) = 0.0807, T = 150.0 K.
Open Access
Synthesis and crystal structure of (Z)-4-((1-(3-fluorophenyl)-1H-1,2,3-triazol-4-yl)methylene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, C₁₉H₁₄FN₅O

July 25, 2024

Irina S. Konovalova, Anna O. Geleverya, Anton Semenets, Sergiy M. Kovalenko, Guido J. Reiss

Page range: 877-880

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C 19 H 14 FN 5 O, monoclinic, P 2 1 / c (no. 14), a = 7.2944(3) Å, b = 12.2032(5) Å, c = 18.1070(7) Å, β = 95.807(4)°, V = 1603.52(11) Å 3 , Z = 4, R gt ( F ) = 0.0451, w R ref = 0.1217, T = 100(2) K.
Open Access
The crystal structure of the coordination compound catena-poly[(18-crown-6-ether-κ⁶O⁶)(4,5-dinitroimidazolato-κ¹O)potassium(I)]

July 25, 2024

Song Le, Liu Lulu, He Jinfeng, He Dan

Page range: 881-883

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C 15 H 25 KN 4 O 10 , monoclinic, P 2 1 (no. 4), a = 8.3669(3) Å, b = 13.6610(4) Å, c = 9.6179(3) Å, β = 104.578(1)°, V = 1063.94(6) Å 3 , Z = 2, R gt ( F ) = 0.0391, wR ref ( F 2 ) = 0.0863, T = 150 K.
Open Access
Crystal structure of 7-(diethylamino)-3-(trifluoroacetyl)-2H-chromen-2-one, C₁₅H₁₄F₃NO₃

July 24, 2024

Huanxin Wang, Yingfan Liu

Page range: 885-888

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C 15 H 14 F 3 NO 3 , monoclinic, P 2 1 (no. 4), a = 5.0637(5) Å, b = 19.1061(19) Å, c = 7.4883(6) Å, β = 95.666(9)°, V = 720.94(12) Å 3 , Z = 2, R gt ( F ) = 0.0463, wR ref ( F 2 ) = 0.1036, T = 294.8(6) K.
Open Access
Crystal structure of dichlorido-1-[(2-ethylimidazole-1-yl)methyl]-1H–benzotriazole κ¹N zinc(II), C₂₄H₂₆ZnN₁₀Cl₂

August 1, 2024

Yaohui Zhao, Xia Wang, Hongxing Qiao, Jingyu Zhang

Page range: 889-890

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C 24 H 26 ZnN 10 Cl 2 , monoclinic, C 2/ c (no. 15), a = 29.9014(12) Å, b = 7.0183(2) Å, c = 13.6656(5) Å, β = 115.518(5)°, Z = 4, V = 2588,06(19) Å 3 , R gt ( F ) = 0.0439, wR ref ( F 2 ) = 0.1315, T = 293(2) K.
Open Access
Crystal and molecular structure of 5-bromopyridine-2,3-diamine

July 26, 2024

Irina S. Konovalova, Guido J. Reiss

Page range: 891-892

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C 5 H 6 BrN 3 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 3.82640(10) Å, b = 8.7336(2) Å, c = 18.6007(3) Å, V = 621.60(2) Å 3 , Z = 4, R gt ( F ) = 0.0184, wR ref = 0.0473, T = 100(2) K.
Open Access
Crystal structure of catena-poly[bis(μ₂-1-(3-carboxyphenyl)-5-methyl-4-oxo-1,4-dihydropyridazine-3-carboxylato-k³-O,O^′:O^″)hexaqua-dicobalt tetrahydrate], C₂₆H₃₆N₄O₂₀Co₂

July 31, 2024

Er-Nu Liu, Meng-Qi Tuo, Bo Liu, Jin Liu, Jiu-Fu Lu

Page range: 893-895

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C 26 H 36 N 4 O 20 Co 2 , monoclinic, P 2 1 (no. 4), a = 10.7226(2) Å, b = 7.41690(10) Å, c = 20.3510(3) Å, β = 90.107(1)°, V = 1618.48(4) Å 3 , Z = 2, R gt ( F ) = 0.0672, w R ref ( F 2 ) = 0.1759, T = 293 K.
Open Access
Crystal structure of thiocyanate-κ¹N-bis(μ₁-2,6-diformyl-4-methylphenol oxime-κ²N,O)-manganese(III) acetonitrile solvate, C₂₁H₂₁MnN₆O₆S

August 1, 2024

Shu-Yang Chen, Zhen-Zhen Shi, Meng-Rui Ma, Yan-Chen Yan, Yi-Xuan Li

Page range: 897-899

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C 21 H 21 MnN 6 O 6 S, monoclinic, P 2 1 / c (no. 14), a = 13.093(3) Å, b = 23.810(5) Å, c = 7.9852(17) Å, β = 106.882(4)°, V = 2,382.1(9) Å 3 , Z = 4, R gt ( F ) = 0.0498, w R ref ( F 2 ) = 0.1299, T = 296(2) K.
Open Access
The crystal structure of pyrrolidin-1-yl pivalate, C₉H₁₃NO₄

July 26, 2024

Ivan P. Bogdanov, Hans-Georg Stammler, Nikolay T. Tzvetkov

Page range: 901-902

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C 9 H 13 NO 4 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 5.8406(1) Å, b = 7.0840(1) Å, c = 24.3697(3) Å, V = 1,008.29(3) Å 3 , Z = 4, R gt ( F ) = 0.0148, wR ref ( F 2 ) = 0.0381, T = 100.0(1) K.
Open Access
The crystal structure of 2,2′-(2,2-diphenylethene-1,1-diyl)bis(1,4-dimethoxybenzene), C₃₀H₂₈O₄

July 23, 2024

Ya-Xuan Li, Jian-Qiao Li, Fei Zeng

Page range: 903-905

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C 30 H 28 O 4 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 9.473(14) Å, b = 9.775(14) Å, c = 14.43(2) Å, α = 100.354(17)°, β = 91.053(17)°, γ = 94.062(17)°, V = 1310(1) Å 3 , Z = 2, R gt ( F ) = 0.0517, w R ref ( F 2 ) = 0.1803, T = 296(2) K.
Open Access
Crystal structure of bis(benzyltrimethylammonium) tetrathiotungstate(VI), {(C₆H₅CH₂)(CH₃)₃N}₂[WS₄]

July 23, 2024

Kang-Woo Kim, Sunghyeon Kim

Page range: 907-910

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C 20 H 32 N 2 S 4 W, monoclinic, C 2/ c (no. 15), a = 37.4033(15) Å, b = 17.2676(7) Å, c = 16.4860(6) Å, β = 109.319(1)°, V = 10,048.2(7) Å 3 , Z = 16, R gt ( F ) = 0.0422, w R ref ( F 2 ) = 0.0930, T = 223 K.
Open Access
The crystal structure of ethyl (Z)-2-(ethoxymethylene)-3-oxobutanoate, C₉H₁₄O₄

August 13, 2024

Andreas Hentsch, Kurt Merzweiler

Page range: 911-912

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C 9 H 14 O 4 , monoclinic, P 2 1 / n (no. 14), a = 8.9332(5) Å, b = 6.8170(2) Å, c = 17.0530(9) Å, β = 102.816(4)°, V = 1,012.62(8) Å 3 , Z = 4, R [ F 2 > 2 σ ( F 2 )] = 0.0363, wR ( F 2 ) = 0.1046, T = 170 K.
Open Access
The crystal structure of (E)-6-bromo-3,5-dimethyl-2-(1-phenylprop-1-en-2-yl)-3Himidazo[4,5b]pyridine, C₁₇H₁₆BrN₃

August 14, 2024

Ivan P. Bogdanov, Hans-Georg Stammler, Nikolay T. Tzvetkov

Page range: 913-915

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C 17 H 16 BrN 3 , monoclinic, P 2 1 / c (no. 14), a = 6.91863(13) Å, b = 7.17190(11) Å, c = 29.6309(5) Å, β = 93.9228(15) ∘ , V = 1466.83(4) Å 3 , Z = 4, R gt ( F ) = 0.0201, wR ref ( F 2 ) = 0.0392, T = 100.0(1) K.
Open Access
Crystal structure of (3S,3′S,4R,4′S)-3′-(furan-3-yl)-3-hydroxy-4′-methyl-3,5,6′,7′-tetrahydro-1H,3′H-4,5′-spirobi[isobenzofuran]-1,1′(4′H)-dione-methanol (1/1), C₂₁H₂₂O₇

August 7, 2024

Shiwei Li, Min Fan

Page range: 917-918

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C 21 H 22 O 7 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 8.3764(2) Å, b = 11.4813(2) Å, c = 19.2394(4) Å, V = 1850.29(7) Å 3 , Z = 4, R gt ( F ) = 0.0303, wR ref ( F 2 ) = 0.0767, T = 100(2) K.
Open Access
Cocrystal structure of progesterone-isophthalic acid, C₂₅H₃₃O₄

August 1, 2024

Peiyu Wang, Ruiqin Sun, Xuguang Yang

Page range: 919-921

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C 25 H 33 O 4 , monoclinic, I 2 (no. 5), a = 15.8319 Å, b = 7.4609 Å, c = 19.2676 Å, β = 103.162°, V = 2216.11(5) Å 3 , Z = 4, R gt ( F ) = 0.0323, wR ref ( F 2 ) = 0.0936, T = 297(7) K.
Open Access
The crystal structure of 3-(6-fluoro-1H-indol-3-yl)-1-methylquinoxalin-2(1H)-one, C₁₇H₁₂FN₃O

August 1, 2024

Hang-Cheng Ni, Min Zhao, Wen-An Li, Zhen-Xiang Liu, Ling-Li Shao, Miao-Miao Chen

Page range: 923-925

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C 17 H 12 FN 3 O, orthorhombic, Pbca (no. 61), a = 14.7608(7) Å, b = 7.2802(4) Å, c = 24.4842(13) Å, V = 2,631.1(2) Å 3 , Z = 8, R gt ( F ) = 0.0900, wR ref ( F 2 ) = 0.1841, T = 170 K.
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Crystal structure of S-(4-carboxybutyl)- l -cysteine

July 23, 2024

James K. Waters, Valeri V. Mossine, Steven P. Kelley, Thomas P. Mawhinney

Page range: 927-929

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C 8 H 15 NO 4 S, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 5.0215 (3) Å, b = 7.0392 (5) Å, c = 28.0593 (19) Å, V = 991.82 (11) Å 3 , Z = 4, R gt ( F ) = 0.0462, wR ref ( F 2 ) = 0.0899, T = 100 K.
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The cocrystal of 2,2′-(hydrazine-1,1-diyl)bis(1H-imidazole-4,5-dicarbonitrile)– methanol (2/3)

July 23, 2024

Zhang Yuyao, Wang Bo, Fan Shengping, Li Yunlu

Page range: 931-932

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C 23 H 20 N 20 O 3 , monoclinic, C 2/ c (no. 15), a = 21.738(2) Å, b = 6.0988(9) Å, c = 24.229(3) Å, β = 114.396(4)°, V = 2,925.3(7) Å 3 , Z = 4, R gt ( F ) = 0.0533, wR ref ( F 2 ) = 0.1434, T = 170 K.
Open Access
Crystal structure of (1′R,2′S,4′R,6′S)-4,6-dihydroxy-1′,8′,8′-trimethyl-3-(3-methylbutanoyl)-4′,8′,6′,1′,7,2′-hexahydro-1H-4′,6′-methanoxanthene-8-carbaldehyde, C₂₃H₃₀O₅

July 30, 2024

Nian Huang, Lang Zhou, Yin-Ju Zhang, Fa-Ju Chen, Qi-Ji Li, Neng-Wu Zhao

Page range: 933-935

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C 23 H 30 O 5 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 9.5489(10) Å, b = 11.1430(10) Å, c = 18.8931(10) Å, V = 2010.29(3) Å 3 , Z = 4, R gt ( F ) = 0.0293, w R ref ( F 2 ) = 0.0763, T = 100.0(2) K.
Open Access
Crystal structure of (3,6-di(2-pyridyl)-4-methylphenyl pyridazine-k ² N,N′)-bis(1-phenyl-pyrazole-κ ² C,N) iridium(III) hexafluorophosphate, C₃₉H₂₉F₆IrN₈P

July 23, 2024

Jun Qian, Liang Ma, Yida Wang

Page range: 937-939

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C 39 H 29 F 6 IrN 8 P, orthorhombic, Pbca (no. 61), a = 19.6205(7) Å, b = 16.2026(6) Å, c = 23.0700(8) Å, V = 7334.0(5) Å 3 , Z = 8, R gt ( F ) = 0.0258, wR ref ( F 2 ) = 0.0611, T = 293 K.
Open Access
Crystal structure of 1,5-bis[(E)-1-(2-hydroxyphenyl)ethylidene]thiocarbonohydrazide dimethyl sulfoxide monosolvate, C₁₇H₁₈N₄O₂S·C₂H₆OS

July 31, 2024

Miljan Bigović, Marija Kaludjerović, Sergiu Shova, Zoran D. Tomić, Željko K. Jaćimović

Page range: 941-943

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C 17 H 18 N 4 O 2 S·C 2 H 6 OS, orthorhombic, Pbcn (no. 60), a = 15.7298(17) Å, b = 16.0633(13) Å, c = 8.3988(11) Å, V = 2,122.1(4) Å 3 , Z = 4, R gt ( F ) = 0.0706, wR ref ( F 2 ) = 0.1885, T = 293(2) K.
Open Access
Crystal structure of (S)-4-(2-(4-(2-acetyl-5-chlorophenyl)-3-methoxy-6-oxopyridazin-1(6H)-yl)-3-phenylpropanamido)benzoic acid monohydrate, C₂₉H₂₆ClN₃O₇

July 31, 2024

Xu Wen-Jie, Xiao Ying, Tan Duan-Ming, Li Song

Page range: 945-947

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C 29 H 26 ClN 3 O 7 , monoclinic, P 2 1 (no. 4), a = 15.5488(6) Å, b = 7.9366(3) Å, c = 22.6498(9) Å, β = 93.006(2)°, V = 2,791.24(19) Å 3 , Z = 4, R gt ( F ) = 0.0528, wR ref ( F 2 ) = 0.1391, T = 292 K.
Open Access
The crystal structure of 1,3-bis(2,4-dinitro-1H-imidazol-1-yl)propane

July 26, 2024

Chen Cong, Liu Lulu, Zhang Jihui, He Jinfeng, Chen Lizhen, Wang Jianlong

Page range: 949-950

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C 9 H 8 N 8 O 8 , monoclinic, P 2 1 / c (no. 14), a = 12.0387(3) Å, b = 10.7899(2) Å, c = 11.4310(3) Å, β = 111.536(3)°, V = 1,381.18(6) Å 3 , Z = 4, R gt ( F ) = 0.0499, wR ref ( F 2 ) = 0.1396, T = 293 K.
Open Access
Crystal structure of 4-chlorobenzyl (S)-2-(6-methoxynaphthalen-2-yl)propanoate, C₂₁H₁₉ClO₃

August 7, 2024

Fei Li, Ji-Xiang Xiao, Li-Na Gao

Page range: 951-952

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C 21 H 19 ClO 3 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 6.0384(3) Å, b = 11.5696(7) Å, c = 24.6624(14) Å, V = 1722.96(17) Å 3 , Z = 4, R gt ( F ) = 0.0253, wR ref ( F 2 ) = 0.0637, T = 100(2) K.
Open Access
Crystal structure of 1-(5-(benzo[d][1,3]dioxol-5-yl)-4-benzyl-1-(4-bromophenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethan-1-one, C₂₄H₂₀BrN₃O₃

August 2, 2024

Anwaar S. Al Maqbali, Nawal K. Al Rasbi, Raid J. Abdel-Jalil

Page range: 953-955

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C 24 H 20 BrN 3 O 3 , triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 10.830(2) Å, b = 11.030(2) Å, c = 11.680(2) Å, α = 97.20(3)°, β = 116.70(3)°, γ = 112.50(3)°, V = 1,074.3(5) Å 3 , Z = 2, R gt ( F ) = 0.0809, wR ref ( F 2 ) = 0.1895, T = 298(2) K.
Open Access
The crystal structure of (Z)-3′-(2-(1-(3,4-dimethyl-phenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl)-2′-hydroxy-[1,1′-biphenyl]-3-carboxylicacid ─ methanol (1/1), C₂₆H₂₆N₄O₅

August 12, 2024

Xiao Guo, Tiejun Li, Xueli Cao, Wenhao Zhang

Page range: 957-959

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C 26 H 26 N 4 O 5 , triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 7.245(2) Å, b = 12.522(3) Å, c = 13.789(3) Å, α = 75.420(1)°, β = 79.628(1)°, γ = 83.226(1)°, V = 1,187.5(5) Å 3 , Z = 2, R gt ( F ) = 0.0467, w R ref ( F 2 ) = 0.1399, T = 298 K.
Open Access
Crystal structure of (S)-1-phenylpropan-1-aminium (S)-(1-phenylpropyl)carbamate C₁₉H₂₆N₂O₂

July 24, 2024

Qiong-Feng Jiang, Guang-Chuan Ou

Page range: 961-962

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C 19 H 26 N 2 O 2 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 5.254(2) Å, b = 12.172(6) Å, c = 29.088(13) Å, V = 1860.2(14) Å 3 , Z = 4, R gt ( F ) = 0.0509, wR ref ( F 2 ) = 0.1345, T = 173 K.
Open Access
Synthesis and crystal structure of methyl 2-((5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetate, C₁₈H₁₆BrN₃O₂S

August 7, 2024

Yuan Xian-Zhu, Qiu Ting-Qun, Li Yan-Hua, Guo Jin, Yi Zhi-Qiang

Page range: 963-965

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C 18 H 16 BrN 3 O 2 S, triclinic, P 1̄ (no. 2), a = 11.5820(4) Å, b = 12.0492(4) Å, c = 14.3048(5) Å, α = 73.673(3)°, β = 88.190(3)°, γ = 72.686(3)°, V = 1826.02(12) Å 3 , Z = 4, R gt ( F ) = 0.0580, wR ref ( F 2 ) = 0.1565, T = 296(2) K.
Open Access
The crystal structure of trichlorobis(pyridine-2,6-dithio-κS-carbomethylamido)antimony(III), [SbCl₃(C₉H₁₁N₃S₂)₂]

August 9, 2024

Marcus Herbig, Uwe Böhme

Page range: 967-969

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[SbCl 3 (C 9 H 11 N 3 S 2 ) 2 ], monoclinic, P 2 1 / n (no. 14), a = 13.8069(4) Å, b = 13.5739(6) Å, c = 14.0182(5) Å, β = 94.231(3)°, V = 2,620.04(17) Å 3 , Z = 4, R gt ( F ) = 0.0329, wR ref ( F 2 ) = 0.0726, T = 153 K.
Open Access
Crystal structure of 1,8-dihydroxy-3-{[(triphenylstannyl)oxy]carbonyl} anthracene-9,10-dione, C₃₃H₂₂O₆Sn

August 7, 2024

Sheng-Cai Xue, Shuang Lü

Page range: 971-973

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C 33 H 22 O 6 Sn, triclinic, P 1̄ (no. 2), a = 9.5394(11) Å, b = 10.2394(12) Å, c = 15.3202(18) Å, α = 105.195(3)°, β = 91.321(2)°, γ = 105.703(3)°, V = 1383.1(3) Å 3 , Z = 2, R gt ( F ) = 0.0452, wR ref ( F 2 ) = 0.1115, T = 298(2) K.
Open Access
The crystal structure of (E)-4-(2-(pyridin-4-ylmethylene)hydrazine-1-carbonyl)pyridin-1-ium-2-olate dihydrate, C₁₂H₁₄N₄O₄

August 14, 2024

Zhao Zeng-Bing, Cheng Lan-Xing, Yang Shu-Cheng, Chai Yong-Li, Tai Xi-Shi

Page range: 975-977

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C 12 H 14 N 4 O 4 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 6.79127(19) Å, b = 10.0328(3) Å, c = 10.0542(2) Å, α = 90.027(2)°, β = 97.124(2)°, γ = 101.983(3)°, V = 664.71(3) Å 3 , Z = 2, R gt ( F ) = 0.0539, wR ref ( F 2 ) = 0.1580, T = 292 K.
Open Access
The crystal structure of 6-amino-pyridinium-2-carboxylate, C₆H₆N₂O₂

August 7, 2024

Wang Li-Hua, Song Gui-Quan, Tai Xi-Shi

Page range: 979-980

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C 6 H 6 N 2 O 2 , monoclinic, P 2 1 / n (no. 14), a = 3.6915(7) Å, b = 19.265(5) Å, c = 8.1468(16) Å, β = 92.47(2)°, V = 578.8(2) Å 3 , Z = 4, R gt ( F ) = 0.0468, wR ref ( F 2 ) = 0.1254, T = 150 K.
Open Access
The crystal structure of catena-poly[aqua-nitrato-κ³O,O:O′′-(1,10-phenanthroline-κ²N,N^′)sodium(I)], C₂₄H₁₈N₆O₇Na₂

August 14, 2024

Zhao Zeng-Bing, Yang Shu-Cheng, Yang Bing-Qi, Cheng Lan-Xing, Tai Xi-Shi

Page range: 981-983

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C 24 H 18 N 6 O 7 Na 2 , monoclinic, I 2/ a (no. 15), a = 9.9773(6) Å, b = 18.2319(14) Å, c = 14.2858(9) Å, β = 108.686(7)°, V = 2461.7(3) Å 3 , Z = 4, R gt ( F ) = 0.0337, w R ref ( F 2 ) = 0.0939, T = 200 K.
Retractions
Open Access
Retraction of: Crystal structure of bis[diaquaisonicotinatosamarium(III)]-µ-isonicotinato-[diisonicotinatocopper(II)], CuSm₂(C₆H₄NO₂)₈(H₂O)₄

July 26, 2024

Yi-Fang Deng, Xue Nie, Chun-Hua Zhang, Dai-Zhi Kuang

Page range: 985-985

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Open Access
Retraction of: Crystal structure of aqua(2,2′-bipyridine-k ² N:N′)(nitrato)-(4-aminobenzoato)cadmium(II) nitrate, [Cd(H₂O)(NO₃)(C₁₀H₈N₂)(C₇H₇NO₂)][NO₃]

July 29, 2024

Yi-Fang Deng, Man-Sheng Chen, Chun-Hua Zhang, Dai-Zhi Kuang

Page range: 987-987

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