Information card for entry 2219820

Structure parameters

• Chemical name: 4-{Ethyl[(<i>E</i>)-4-(4-pyridylvinyl)phenyl]amino}benzaldehyde
• Formula: C22 H20 N2 O
• Calculated formula: C22 H20 N2 O
• SMILES: N(c1ccc(C=O)cc1)(c1ccc(cc1)/C=C/c1ccncc1)CC
• Title of publication: 4-{Ethyl[(<i>E</i>)-4-(4-pyridylvinyl)phenyl]amino}benzaldehyde
• Authors of publication: Liu, Dao-Fu; Chen, Yong-Hong; Wang, Feng-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2075
• a: 8.8338 ± 0.0014 Å
• b: 9.5747 ± 0.0018 Å
• c: 10.472 ± 0.002 Å
• α: 86.621 ± 0.002°
• β: 84.276 ± 0.001°
• γ: 83.886 ± 0.001°
• Cell volume: 875.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1763
• Weighted residual factors for all reflections included in the refinement: 0.2095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes