Information card for entry 2210466

Structure parameters

• Chemical name: 3-[4-(Dimethylamino)phenyl]-2-(4-methoxyphenyl)acrylonitrile
• Formula: C18 H18 N2 O
• Calculated formula: C18 H18 N2 O
• SMILES: O(c1ccc(cc1)/C(=C/c1ccc(N(C)C)cc1)C#N)C
• Title of publication: 3-[4-(Dimethylamino)phenyl]-2-(4-methoxyphenyl)acrylonitrile
• Authors of publication: Kavitha, C. V.; Sarala, G; Rangappa, K. S.; Sridhar, M. A.; Shashidhara Prasad, J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4345 - o4347
• a: 11.736 ± 0.009 Å
• b: 7.646 ± 0.008 Å
• c: 19.932 ± 0.012 Å
• α: 90°
• β: 123.379 ± 0.005°
• γ: 90°
• Cell volume: 1494 ± 2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0584
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes