Information card for entry 2016809

Structure parameters

• Chemical name: (2E)-3-(2-chloro-6-methylquinolin-3-yl)-1-(5-iodothiophen-2-yl)prop-2-en-1-one,
• Formula: C17 H11 Cl I N O S
• Calculated formula: C17 H11 Cl I N O S
• SMILES: Ic1sc(C(=O)/C=C/c2cc3c(nc2Cl)ccc(c3)C)cc1
• Title of publication: Novel chalcones derived from 2-chloro-3-formyl-6-methylquinoline
• Authors of publication: Rizvi, Umar Farooq; Siddiqui, Hamid Latif; Ahmad, Saeed; Ahmad, Matloob; Parvez, Masood
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o547 - o549
• a: 17.112 ± 0.006 Å
• b: 7.636 ± 0.003 Å
• c: 13.174 ± 0.005 Å
• α: 90°
• β: 111.29 ± 0.02°
• γ: 90°
• Cell volume: 1603.9 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.068
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.097
• 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