Information card for entry 2213064

Structure parameters

• Chemical name: Ethyl 2-aminothiophene-3-carboxylate
• Formula: C7 H9 N O2 S
• Calculated formula: C7 H9 N O2 S
• SMILES: s1c(N)c(cc1)C(=O)OCC
• Title of publication: Ethyl 2-aminothiophene-3-carboxylate
• Authors of publication: Bourgeaux, Marie; Skene, W.G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1603 - o1605
• a: 10.1838 ± 0.0001 Å
• b: 17.8042 ± 0.0002 Å
• c: 10.3046 ± 0.0001 Å
• α: 90°
• β: 119.192 ± 0.001°
• γ: 90°
• Cell volume: 1631.07 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.048
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes