Information card for entry 2218641

Structure parameters

• Chemical name: 4-(Dimethylamino)benzaldehyde
• Formula: C9 H11 N O
• Calculated formula: C9 H11 N O
• SMILES: O=Cc1ccc(N(C)C)cc1
• Title of publication: 4-(Dimethylamino)benzaldehyde
• Authors of publication: Gao, Bo; Zhu, Jian-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1182
• a: 10.356 ± 0.006 Å
• b: 7.686 ± 0.004 Å
• c: 20.8434 ± 0.0013 Å
• α: 90°
• β: 96.808 ± 0.013°
• γ: 90°
• Cell volume: 1647.4 ± 1.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0894
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes