Information card for entry 2226993

Structure parameters

• Chemical name: 1-[6-Chloro-4-(2-chlorophenyl)-2-methyl-3-quinolyl]ethanone
• Formula: C18 H13 Cl2 N O
• Calculated formula: C18 H13 Cl2 N O
• SMILES: Clc1cc2c(c(c(nc2cc1)C)C(=O)C)c1c(Cl)cccc1
• Title of publication: 1-[6-Chloro-4-(2-chlorophenyl)-2-methyl-3-quinolyl]ethanone
• Authors of publication: Preeti, B.; Sarveswari, S.; Vijayakumar, V.; Tan, Kang Wai; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2002
• a: 10.3105 ± 0.0006 Å
• b: 12.8882 ± 0.0007 Å
• c: 11.7968 ± 0.0007 Å
• α: 90°
• β: 93.367 ± 0.001°
• γ: 90°
• Cell volume: 1564.9 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes