Information card for entry 2231321

Structure parameters

• Chemical name: <i>N</i>'-(5-Bromo-2-hydroxybenzylidene)-4-nitrobenzohydrazide methanol monosolvate
• Formula: C15 H14 Br N3 O5
• Calculated formula: C15 H14 Br N3 O5
• SMILES: Brc1ccc(O)c(c1)/C=N/NC(=O)c1ccc(N(=O)=O)cc1.OC
• Title of publication: <i>N</i>'-(5-Bromo-2-hydroxybenzylidene)-4-nitrobenzohydrazide methanol monosolvate
• Authors of publication: Liu, Wei-Hua; Song, Shuang-Ju; Ma, Jing-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2198
• a: 6.66 ± 0.002 Å
• b: 19.068 ± 0.003 Å
• c: 12.73 ± 0.002 Å
• α: 90°
• β: 93.222 ± 0.002°
• γ: 90°
• Cell volume: 1614.1 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1184
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes