Information card for entry 2231290

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(4-Methoxybenzylidene)-3-nitrobenzohydrazide
• Formula: C15 H13 N3 O4
• Calculated formula: C15 H13 N3 O4
• SMILES: N(/NC(=O)c1cc(N(=O)=O)ccc1)=C\c1ccc(OC)cc1
• Title of publication: (<i>E</i>)-<i>N</i>'-(4-Methoxybenzylidene)-3-nitrobenzohydrazide
• Authors of publication: Guo, Jin-Wu; Ma, Jun-Ying; Sun, Chao-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1886
• a: 13.667 ± 0.004 Å
• b: 4.889 ± 0.003 Å
• c: 22.522 ± 0.004 Å
• α: 90°
• β: 104.113 ± 0.003°
• γ: 90°
• Cell volume: 1459.5 ± 1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1342
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes