Information card for entry 2013484

Structure parameters

• Chemical name: 2-Cyano-3-dimethylamino-N-(4-methylphenyl) acrylamide
• Formula: C13 H15 N3 O
• Calculated formula: C13 H15 N3 O
• SMILES: c1(ccc(cc1)C)NC(=O)C(=C/N(C)C)/C#N
• Title of publication: Supramolecular structures of 2-cyano-3-dimethylamino-<i>N</i>-(4-methylphenyl)acrylamide and 2-cyano-3-dimethylamino-<i>N</i>-(2-methoxyphenyl)acrylamide
• Authors of publication: M.Yogavel; P.G.Aravindan; D.Velmurugan; K.Sekar; S.Selvi; P.T.Perumal; S.Shanmuga Sundara Raj; H.-K. Fun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o394 - o396
• a: 7.5846 ± 0.0003 Å
• b: 22.4477 ± 0.001 Å
• c: 7.5989 ± 0.0003 Å
• α: 90°
• β: 106.306 ± 0.001°
• γ: 90°
• Cell volume: 1241.72 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0779
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes