Information card for entry 2223248

Structure parameters

• Chemical name: <i>N</i>'-(3-Bromo-4-methoxybenzylidene)nicotinohydrazide monohydrate
• Formula: C14 H14 Br N3 O3
• Calculated formula: C14 H14 Br N3 O3
• SMILES: Brc1cc(ccc1OC)C=NNC(=O)c1cccnc1.O
• Title of publication: <i>N</i>'-(3-Bromo-4-methoxybenzylidene)nicotinohydrazide monohydrate
• Authors of publication: Bao, Feng-Yu; Ding, Xing-Shun; Zhang, Hai-Yan; Zhou, Ying-Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2282
• a: 7.7979 ± 0.0001 Å
• b: 12.5678 ± 0.0002 Å
• c: 14.9419 ± 0.0003 Å
• α: 90°
• β: 97.449 ± 0.001°
• γ: 90°
• Cell volume: 1451.98 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0395
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes