Information card for entry 2215457

Structure parameters

• Chemical name: 3-Bromo-4-methoxybenzaldehyde 4-nitrophenylhydrazone
• Formula: C14 H12 Br N3 O3
• Calculated formula: C14 H12 Br N3 O3
• SMILES: Brc1cc(/C=N/Nc2ccc(N(=O)=O)cc2)ccc1OC
• Title of publication: 3-Bromo-4-methoxybenzaldehyde 4-nitrophenylhydrazone
• Authors of publication: Zhang, Chun-Xia; Yin, Zhi-Gang; Qian, Heng-Yu; Hu, Jie; Feng, Yu-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4165 - o4165
• a: 7.28 ± 0.0015 Å
• b: 14.678 ± 0.003 Å
• c: 27.368 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2924.4 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1105
• Residual factor for significantly intense reflections: 0.0911
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.1756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes