Information card for entry 2210862

Structure parameters

• Chemical name: (E)-N'-(5-bromo-2-hydroxybenzylidene)-3,5-dimethoxybenzohydrazide
• Formula: C16 H15 Br N2 O4
• Calculated formula: C16 H15 Br N2 O4
• SMILES: Brc1ccc(O)c(/C=N/NC(=O)c2cc(OC)cc(OC)c2)c1
• Title of publication: (<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxybenzylidene)-3,5-dimethoxybenzohydrazide
• Authors of publication: Hui-Yan Liu; Hai-Ying Wang; Feng Gao; Zai-Sheng Lu; De-Zhong Niu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5259 - o5260
• a: 11.235 ± 0.002 Å
• b: 15.973 ± 0.003 Å
• c: 9.2501 ± 0.0016 Å
• α: 90°
• β: 104.483 ± 0.003°
• γ: 90°
• Cell volume: 1607.2 ± 0.5 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: 0.0952
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes