Information card for entry 2225735

Structure parameters

• Chemical name: (2<i>E</i>)-3-(2-Chloro-6-methyl-3-quinolyl)-1-(1-naphthyl)prop-2-en-1-one
• Formula: C23 H16 Cl N O
• Calculated formula: C23 H16 Cl N O
• SMILES: Clc1nc2ccc(cc2cc1/C=C/C(=O)c1cccc2ccccc12)C
• Title of publication: (2<i>E</i>)-3-(2-Chloro-6-methyl-3-quinolyl)-1-(1-naphthyl)prop-2-en-1-one
• Authors of publication: Rizvi, Syed Umar Farooq; Siddiqui, Hamid Latif; Zia-ur-Rehman, Muhammad; Azam, Muhammad; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o761
• a: 16.919 ± 0.008 Å
• b: 7.146 ± 0.003 Å
• c: 14.829 ± 0.005 Å
• α: 90°
• β: 103.29 ± 0.02°
• γ: 90°
• Cell volume: 1744.9 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0964
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes