Information card for entry 2223017

Structure parameters

• Chemical name: (<i>E</i>)-3-Bromo-<i>N</i>'-(4-methoxybenzylidene)benzohydrazide methanol solvate
• Formula: C16 H17 Br N2 O3
• Calculated formula: C16 H17 Br N2 O3
• SMILES: Brc1cc(ccc1)C(=O)N/N=C/c1ccc(OC)cc1.OC
• Title of publication: (<i>E</i>)-3-Bromo-<i>N</i>'-(4-methoxybenzylidene)benzohydrazide methanol solvate
• Authors of publication: Cao, Guo-Biao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2086
• a: 13.585 ± 0.001 Å
• b: 6.715 ± 0.001 Å
• c: 18.377 ± 0.001 Å
• α: 90°
• β: 104.429 ± 0.002°
• γ: 90°
• Cell volume: 1623.5 ± 0.3 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: 0.082
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes