Information card for entry 8107309

Structure parameters

• Formula: C13 H9 Cl N2 O4
• Calculated formula: C13 H9 Cl N2 O4
• SMILES: Clc1cc(c(cc1)O)N/C=C1\C(=O)C=CC(=C1)N(=O)=O
• Title of publication: The crystal structure of (Z)-6-(((5-chloro-2-hydroxyphenyl)amino)methylene)- 4-nitrocyclohexa, C13H9ClN2O4
• Authors of publication: Zhang, Zhijian; Xiao, Xiyuan; Jiang, Wujiu; Feng, Hao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 6
• Pages of publication: 1119 - 1120
• a: 11.1882 ± 0.0011 Å
• b: 8.0672 ± 0.0008 Å
• c: 14.0813 ± 0.0015 Å
• α: 90°
• β: 94.084 ± 0.002°
• γ: 90°
• Cell volume: 1267.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No