Information card for entry 2214944

Structure parameters

• Chemical name: 4-Methoxybenzaldehyde 2-methylpropanoylhydrazone
• Formula: C12 H18 N2 O3
• Calculated formula: C12 H18 N2 O3
• SMILES: O(C)c1ccc(cc1)/C=N/NC(=O)C(C)C.O
• Title of publication: 4-Methoxybenzaldehyde 2-methylpropanoylhydrazone
• Authors of publication: Huan-Mei Guo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3786 - o3786
• a: 11.184 ± 0.003 Å
• b: 12.732 ± 0.003 Å
• c: 10.634 ± 0.003 Å
• α: 90°
• β: 112.636 ± 0.004°
• γ: 90°
• Cell volume: 1397.6 ± 0.6 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: 0.132
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes