Information card for entry 2217965

Structure parameters

• Chemical name: 7-Chloro-4-(2,5-dichlorophenyl)-1-phenyl-1<i>H</i>- thiochromeno[2,3-<i>b</i>]pyridine-2,5(3<i>H</i>,4<i>H</i>)-dione
• Formula: C24 H14 Cl3 N O2 S
• Calculated formula: C24 H14 Cl3 N O2 S
• SMILES: s1c2ccc(Cl)cc2c(=O)c2C(CC(=O)N(c12)c1ccccc1)c1c(Cl)ccc(Cl)c1
• Title of publication: 7-Chloro-4-(2,5-dichlorophenyl)-1-phenyl-1<i>H</i>-thiochromeno[2,3-<i>b</i>]pyridine-2,5(3<i>H</i>,4<i>H</i>)-dione
• Authors of publication: Wen, Li-Rong; Ji, Chen; Sun, Ji-Hui; Xie, Huai-Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o670
• a: 13.624 ± 0.005 Å
• b: 13.474 ± 0.005 Å
• c: 11.861 ± 0.004 Å
• α: 90°
• β: 95.042 ± 0.006°
• γ: 90°
• Cell volume: 2168.9 ± 1.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• 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: 0.09
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes