Information card for entry 2230489

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(5-Bromo-2-methoxybenzylidene)isonicotinohydrazide
• Formula: C14 H12 Br N3 O2
• Calculated formula: C14 H12 Br N3 O2
• SMILES: COc1ccc(cc1/C=N/NC(=O)c1ccncc1)Br
• Title of publication: (<i>E</i>)-<i>N</i>'-(5-Bromo-2-methoxybenzylidene)isonicotinohydrazide
• Authors of publication: Ban, Hong-Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1443
• a: 10.02 ± 0.003 Å
• b: 25.732 ± 0.002 Å
• c: 11.243 ± 0.002 Å
• α: 90°
• β: 102.199 ± 0.003°
• γ: 90°
• Cell volume: 2833.4 ± 1 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: 0.2338
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes