Information card for entry 2229176

Structure parameters

• Chemical name: 3-Chloro-<i>N</i>'-(3-ethoxy-2-hydroxybenzylidene)benzohydrazide monohydrate
• Formula: C16 H17 Cl N2 O4
• Calculated formula: C16 H17 Cl N2 O4
• SMILES: Clc1cc(C(=O)N/N=C/c2c(O)c(OCC)ccc2)ccc1.O
• Title of publication: 3-Chloro-<i>N</i>'-(3-ethoxy-2-hydroxybenzylidene)benzohydrazide monohydrate
• Authors of publication: Li, Tian-Yi; Zeng, Peng-Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o377
• a: 4.631 ± 0.002 Å
• b: 13.558 ± 0.003 Å
• c: 25.478 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1599.7 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1947
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes