Information card for entry 2228020

Structure parameters

• Chemical name: 4-Chloro-<i>N</i>'-(4-methoxybenzylidene)benzohydrazide methanol monosolvate
• Formula: C16 H17 Cl N2 O3
• Calculated formula: C16 H17 Cl N2 O3
• SMILES: Clc1ccc(cc1)C(=O)N/N=C/c1ccc(OC)cc1.OC
• Title of publication: 4-Chloro-<i>N</i>'-(4-methoxybenzylidene)benzohydrazide methanol monosolvate
• Authors of publication: Huang, Hai-Tao; Wu, Hong-Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2729 - o2730
• a: 10.914 ± 0.003 Å
• b: 6.459 ± 0.002 Å
• c: 11.358 ± 0.002 Å
• α: 90°
• β: 93 ± 0.003°
• γ: 90°
• Cell volume: 799.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1278
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1231
• 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