Information card for entry 2224776

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-Benzylidene-5-methylisoxazole-4-carbohydrazide
• Formula: C12 H11 N3 O2
• Calculated formula: C12 H11 N3 O2
• SMILES: Cc1c(cno1)C(=O)N/N=C/c1ccccc1
• Title of publication: (<i>E</i>)-<i>N</i>'-Benzylidene-5-methylisoxazole-4-carbohydrazide
• Authors of publication: Jin, Yan-Xian; Jia, Wen-Ping; Wu, Jun-Yong; Yan, Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o123
• a: 6.6562 ± 0.0006 Å
• b: 7.4874 ± 0.0009 Å
• c: 11.3051 ± 0.0011 Å
• α: 87.319 ± 0.008°
• β: 84.64 ± 0.007°
• γ: 87.878 ± 0.008°
• Cell volume: 560.04 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1233
• Residual factor for significantly intense reflections: 0.0949
• Weighted residual factors for significantly intense reflections: 0.2789
• Weighted residual factors for all reflections included in the refinement: 0.3023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes