Information card for entry 1548890

Structure parameters

• Chemical name: 2-Amino-4-(4-methoxyphenyl)-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
• Formula: C24 H23 N3 O2
• Calculated formula: C24 H23 N3 O2
• SMILES: O=C1C2=C(N(C(=C(C2c2ccc(OC)cc2)C#N)N)c2ccc(cc2)C)CCC1
• Title of publication: 2-Amino-4-(4-methoxyphenyl)-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
• Authors of publication: Tamam, Asmaa H. A.; Kaur, Manpreet; Akkurt, Mehmet; Mohamed, Shaaban K.; Jasinski, Jerry P.; Hussain, Faiq H. S.
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 2
• Pages of publication: x180167
• a: 9.1066 ± 0.0004 Å
• b: 19.6406 ± 0.0009 Å
• c: 11.2901 ± 0.0005 Å
• α: 90°
• β: 94.343 ± 0.004°
• γ: 90°
• Cell volume: 2013.54 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0682
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes