Information card for entry 2219719

Structure parameters

• Chemical name: <i>N</i>'-(5-Bromo-2-hydroxy-3-methoxybenzylidene)isonicotinohydrazide
• Formula: C14 H12 Br N3 O3
• Calculated formula: C14 H12 Br N3 O3
• SMILES: Brc1cc(OC)c(O)c(c1)/C=N/NC(=O)c1ccncc1
• Title of publication: <i>N</i>'-(5-Bromo-2-hydroxy-3-methoxybenzylidene)isonicotinohydrazide
• Authors of publication: Peng, San-Jun; Hou, Hai-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1995
• a: 7.4937 ± 0.0009 Å
• b: 15.8843 ± 0.0019 Å
• c: 11.7994 ± 0.0014 Å
• α: 90°
• β: 99.776 ± 0.002°
• γ: 90°
• Cell volume: 1384.1 ± 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: 0.0463
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes