Information card for entry 2218000

Structure parameters

• Chemical name: N'-(4-Methoxybenzylidene)-4-nitrobenzohydrazide methanol solvate
• Formula: C16 H17 N3 O5
• Calculated formula: C16 H17 N3 O5
• SMILES: N(=O)(=O)c1ccc(cc1)C(=O)N/N=C/c1ccc(OC)cc1.OC
• Title of publication: <i>N</i>'-(4-Methoxybenzylidene)-4-nitrobenzohydrazide methanol solvate
• Authors of publication: Wang, Yuan-Zhi; Wang, Ming-Dong; Diao, Yun-Peng; Cai, Qian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o668
• a: 14.719 ± 0.003 Å
• b: 6.631 ± 0.002 Å
• c: 18.002 ± 0.003 Å
• α: 90°
• β: 113.17 ± 0.03°
• γ: 90°
• Cell volume: 1615.3 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.1399
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes