Information card for entry 2223397

Structure parameters

• Chemical name: (E)-N'-(4-Bromobenzylidene)-3,4-dihydroxybenzohydrazide monohydrate
• Formula: C14 H13 Br N2 O4
• Calculated formula: C14 H13 Br N2 O4
• SMILES: Brc1ccc(/C=N/NC(=O)c2cc(O)c(O)cc2)cc1.O
• Title of publication: (<i>E</i>)-<i>N</i>'-(4-Bromobenzylidene)-3,4-dihydroxybenzohydrazide monohydrate
• Authors of publication: Zhao, Dan-Yu; Li, Chuan-Xun; Huang, Shan-shan; Zhong, Min-Tao; Zhang, Hou-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2489
• a: 7.8119 ± 0.0005 Å
• b: 13.8504 ± 0.0009 Å
• c: 13.0764 ± 0.0009 Å
• α: 90°
• β: 91.708 ± 0.001°
• γ: 90°
• Cell volume: 1414.21 ± 0.16 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.0622
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes