Information card for entry 2211006

Structure parameters

• Formula: C9 H11 N O2
• Calculated formula: C9 H11 N O2
• SMILES: O(c1cc(c(NC=O)cc1)C)C
• Title of publication: <i>N</i>-Formyl-4-methoxy-2-methylaniline
• Authors of publication: Guo, Xianghai; Shen, Jiaxiang; Wang, Liang; Zhou, Guangzeng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o4862 - o4863
• a: 14.694 ± 0.003 Å
• b: 8.9004 ± 0.0014 Å
• c: 7.1127 ± 0.0012 Å
• α: 90°
• β: 100.645 ± 0.008°
• γ: 90°
• Cell volume: 914.2 ± 0.3 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: 0.0833
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes