Information card for entry 2220453

Structure parameters

• Chemical name: Ethyl 3-amino-4<i>H</i>-thieno[2,3-<i>b</i>]pyridine-2-carboxylate
• Formula: C10 H10 N2 O2 S
• Calculated formula: C10 H10 N2 O2 S
• SMILES: s1c(c(N)c2cccnc12)C(=O)OCC
• Title of publication: Ethyl 3-amino-4<i>H</i>-thieno[2,3-<i>b</i>]pyridine-2-carboxylate
• Authors of publication: Zheng, Ren-lin; Zhang, Wen-qin; Yu, Luo-Ting; Yang, Sheng-Yong; Yang, Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o9
• a: 6.657 ± 0.004 Å
• b: 13.891 ± 0.004 Å
• c: 10.902 ± 0.004 Å
• α: 90°
• β: 91.64 ± 0.04°
• γ: 90°
• Cell volume: 1007.7 ± 0.8 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0531
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes