Information card for entry 2229285

Structure parameters

• Chemical name: [(<i>E</i>)-(1-Phenylethylidene)amino]urea methanol monosolvate
• Formula: C10 H15 N3 O2
• Calculated formula: C10 H15 N3 O2
• SMILES: c1cccc(c1)/C(=N/NC(=O)N)C.CO
• Title of publication: [(<i>E</i>)-(1-Phenylethylidene)amino]urea methanol monosolvate
• Authors of publication: Liu, Guang-Bin; Chen, Peng-Sheng; Liu, Chang-Xiang; Fu, Ling; Nie, Xu-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o345
• a: 6.629 ± 0.003 Å
• b: 8.371 ± 0.004 Å
• c: 20.329 ± 0.009 Å
• α: 90°
• β: 99.181 ± 0.005°
• γ: 90°
• Cell volume: 1113.6 ± 0.9 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes