Information card for entry 2230964

Structure parameters

• Chemical name: <i>N</i>'-[(<i>E</i>)-1-(5-Bromo-2-hydroxyphenyl)ethylidene]-4- nitrobenzohydrazide
• Formula: C15 H12 Br N3 O4
• Calculated formula: C15 H12 Br N3 O4
• SMILES: Brc1ccc(O)c(c1)C(=N\NC(=O)c1ccc(N(=O)=O)cc1)\C
• Title of publication: <i>N</i>'-[(<i>E</i>)-1-(5-Bromo-2-hydroxyphenyl)ethylidene]-4-nitrobenzohydrazide
• Authors of publication: Zheng, Chang-Zheng; Wang, Liang; Liu, Juan; Wang, Yu-Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1809
• a: 40.381 ± 0.013 Å
• b: 5.0598 ± 0.0016 Å
• c: 7.168 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1464.6 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes