Information card for entry 2224756

Structure parameters

• Chemical name: 5-Methyl-<i>N</i>'-(3-nitrobenzylidene)isoxazole-4-carbohydrazide
• Formula: C12 H10 N4 O4
• Calculated formula: C12 H10 N4 O4
• SMILES: Cc1c(cno1)C(=O)NN=Cc1cccc(c1)N(=O)=O
• Title of publication: 5-Methyl-<i>N</i>'-(3-nitrobenzylidene)isoxazole-4-carbohydrazide
• Authors of publication: Jin, Yan-Xian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o47
• a: 4.8668 ± 0.0008 Å
• b: 25.202 ± 0.004 Å
• c: 10.257 ± 0.002 Å
• α: 90°
• β: 100.721 ± 0.012°
• γ: 90°
• Cell volume: 1236.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0853
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes