Information card for entry 2213800

Structure parameters

• Chemical name: (E)-1-(4-Methoxybenzylidene)semicarbazide
• Formula: C9 H11 N3 O2
• Calculated formula: C9 H11 N3 O2
• SMILES: O(c1ccc(cc1)/C=N/NC(=O)N)C
• Title of publication: (<i>E</i>)-1-(4-Methoxybenzylidene)semicarbazide
• Authors of publication: Liang, Zu-Pei; Li, Jian; Wang, Hong-Liang; Wang, Hui-Qin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2939 - o2939
• a: 13.811 ± 0.011 Å
• b: 5.443 ± 0.004 Å
• c: 12.912 ± 0.01 Å
• α: 90°
• β: 97.933 ± 0.013°
• γ: 90°
• Cell volume: 961.3 ± 1.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0781
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes