Information card for entry 2226428

Structure parameters

• Chemical name: 1-{6-Chloro-2-[(2-chloro-3-quinolyl)methoxy]-4-phenyl-3-quinolyl}ethan-1-one
• Formula: C27 H18 Cl2 N2 O2
• Calculated formula: C27 H18 Cl2 N2 O2
• SMILES: Clc1cc2c(c(c(OCc3c(Cl)nc4ccccc4c3)nc2cc1)C(=O)C)c1ccccc1
• Title of publication: 1-{6-Chloro-2-[(2-chloro-3-quinolyl)methoxy]-4-phenyl-3-quinolyl}ethan-1-one
• Authors of publication: Khan, F. Nawaz; Roopan, S. Mohana; Kumar, Rajesh; Hathwar, Venkatesha R.; Akkurt, Mehmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1607 - o1608
• a: 9.2694 ± 0.0003 Å
• b: 10.8862 ± 0.0004 Å
• c: 13.049 ± 0.0005 Å
• α: 100.615 ± 0.003°
• β: 103.57 ± 0.003°
• γ: 111.894 ± 0.004°
• Cell volume: 1132.51 ± 0.09 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes