Information card for entry 2230787

Structure parameters

• Chemical name: 3-Chloro-<i>N</i>'-(4-hydroxy-3-nitrobenzylidene)benzohydrazide methanol disolvate
• Formula: C16 H18 Cl N3 O6
• Calculated formula: C16 H18 Cl N3 O6
• SMILES: Clc1cc(C(=O)N/N=C/c2cc(N(=O)=O)c(O)cc2)ccc1.OC.OC
• Title of publication: 3-Chloro-<i>N</i>'-(4-hydroxy-3-nitrobenzylidene)benzohydrazide methanol disolvate
• Authors of publication: Zhang, Zhen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1630
• a: 7.626 ± 0.002 Å
• b: 18.846 ± 0.005 Å
• c: 12.739 ± 0.003 Å
• α: 90°
• β: 94.689 ± 0.004°
• γ: 90°
• Cell volume: 1824.7 ± 0.8 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: 0.1406
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1702
• Weighted residual factors for all reflections included in the refinement: 0.2082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes