Information card for entry 2227991

Structure parameters

• Chemical name: 4-(<i>o</i>-Tolylamino)benzaldehyde
• Formula: C14 H13 N O
• Calculated formula: C14 H13 N O
• SMILES: c1c(Nc2c(C)cccc2)ccc(C=O)c1
• Title of publication: 4-(<i>o</i>-Tolylamino)benzaldehyde
• Authors of publication: Wang, Li-Ying; Xie, Yong-Sheng; Wu, Ren-Min; Zuo, Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2827
• a: 14.193 ± 0.01 Å
• b: 10.699 ± 0.01 Å
• c: 7.677 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1165.8 ± 1.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes