Information card for entry 2208299

Structure parameters

• Chemical name: 2-Amino-4-(2-chlorophenyl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo- 1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
• Formula: C25 H24 Cl N3 O
• Calculated formula: C25 H24 Cl N3 O
• SMILES: Clc1c(C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)c2ccc(cc2)C)N)C#N)cccc1
• Title of publication: 2-Amino-4-(2-chlorophenyl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
• Authors of publication: Hong Jiang; Xiang-Shan Wang; Mei-Mei Zhang; Yu-Ling Li; Da-Qing Shi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o1184 - o1186
• a: 19.541 ± 0.002 Å
• b: 9.0199 ± 0.0008 Å
• c: 14.8424 ± 0.0016 Å
• α: 90°
• β: 124.628 ± 0.002°
• γ: 90°
• Cell volume: 2152.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes