Information card for entry 2215073

Structure parameters

• Chemical name: Ethyl 2-amino-4-isobutylthiophene-3-carboxylate
• Formula: C11 H17 N O2 S
• Calculated formula: C11 H17 N O2 S
• SMILES: c1c(c(c(N)s1)C(=O)OCC)CC(C)C
• Title of publication: Ethyl 2-amino-4-isobutylthiophene-3-carboxylate
• Authors of publication: Quan-Bin Liao; Jie Huang; Zhen-Zhen Yang; Ming-Guo Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3824 - o3824
• a: 13.4321 ± 0.0007 Å
• b: 9.4977 ± 0.0007 Å
• c: 9.8629 ± 0.001 Å
• α: 90°
• β: 94.435 ± 0.001°
• γ: 90°
• Cell volume: 1254.48 ± 0.17 ų
• Cell temperature: 293 ± 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: 0.0892
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes