Information card for entry 8102304

Structure parameters

• Formula: C14 H13 Cl N2 O4
• Calculated formula: C14 H13 Cl N2 O4
• SMILES: Clc1c(cccc1)/C=N/NC(=O)c1cc(O)c(O)cc1.O
• Title of publication: Crystal structure of 2 -[1-(2-chlorophenyl)-methylidene]hydrazino-1-(3,4-dihydroxyphenyl)ethanone monohydrate, C14H11ClN2O3 · H2O
• Authors of publication: Yun-Peng Diao; Shan-Shan Huang; Ying Kong; Ming-Yu Xia; Da-Li Meng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 3
• Pages of publication: 285
• a: 12.131 ± 0.002 Å
• b: 12.634 ± 0.003 Å
• c: 8.923 ± 0.0018 Å
• α: 90°
• β: 96.99 ± 0.03°
• γ: 90°
• Cell volume: 1357.4 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No