Information card for entry 2219982

Structure parameters

• Chemical name: (E)-<i>N</i>'-(2-Chloro-5-nitrobenzylidene)-4-methoxybenzohydrazide
• Formula: C15 H12 Cl N3 O4
• Calculated formula: C15 H12 Cl N3 O4
• SMILES: Clc1c(cc(N(=O)=O)cc1)/C=N/NC(=O)c1ccc(OC)cc1
• Title of publication: (<i>E</i>)-<i>N</i>'-(2-Chloro-5-nitrobenzylidene)-4-methoxybenzohydrazide
• Authors of publication: Ban, Hong-Yan; Li, Cong-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2177
• a: 11.724 ± 0.002 Å
• b: 13.482 ± 0.003 Å
• c: 9.4259 ± 0.0019 Å
• α: 90°
• β: 97.199 ± 0.003°
• γ: 90°
• Cell volume: 1478.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes