Information card for entry 2201372

Structure parameters

• Chemical name: 4-chloro-2-(4-chlorophenyl)-1-formyl-1,2-dihydroquinoline
• Formula: C16 H11 Cl2 N O
• Calculated formula: C16 H11 Cl2 N O
• SMILES: ClC1=CC(N(c2c1cccc2)C=O)c1ccc(Cl)cc1
• Title of publication: 4-Chloro-2-(4-chlorophenyl)-1-formyl-1,2-dihydroquinoline
• Authors of publication: S. Thinagar; D. Velmurugan; V. Rajakannan; Il-Hwan Suh; S. Akila
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: o893 - o895
• a: 13.5899 ± 0.0014 Å
• b: 14.344 ± 0.004 Å
• c: 15.667 ± 0.003 Å
• α: 90°
• β: 110.174 ± 0.013°
• γ: 90°
• Cell volume: 2866.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes