Information card for entry 2229058

Structure parameters

• Chemical name: (<i>E</i>)-2-(4-Methylbenzylidene)hydrazinecarboxamide
• Formula: C9 H11 N3 O
• Calculated formula: C9 H11 N3 O
• SMILES: O=C(N/N=C/c1ccc(cc1)C)N
• Title of publication: (<i>E</i>)-2-(4-Methylbenzylidene)hydrazinecarboxamide
• Authors of publication: Kia, Yalda; Osman, Hasnah; al Murugaiyah, Vikneswaran; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o242
• a: 17.2186 ± 0.0013 Å
• b: 4.5304 ± 0.0003 Å
• c: 11.9846 ± 0.0009 Å
• α: 90°
• β: 93.348 ± 0.003°
• γ: 90°
• Cell volume: 933.29 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0672
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes