Information card for entry 2220696

Structure parameters

• Chemical name: Ethyl 3-(4-methylbenzenesulfonamido)thieno[2,3-<i>b</i>]pyridine-2-carboxylate
• Formula: C17 H16 N2 O4 S2
• Calculated formula: C17 H16 N2 O4 S2
• SMILES: S(=O)(=O)(Nc1c(sc2ncccc12)C(=O)OCC)c1ccc(C)cc1
• Title of publication: Ethyl 3-(4-methylbenzenesulfonamido)thieno[2,3-<i>b</i>]pyridine-2-carboxylate
• Authors of publication: Zhang, Wen-qin; Zheng, Ren-lin; Song, Hang; Yang, Sheng-Yong; Yu, Luo-Ting
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o257
• a: 14.809 ± 0.004 Å
• b: 11.892 ± 0.003 Å
• c: 19.494 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3433.1 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.1858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes