Information card for entry 2218421

Structure parameters

• Chemical name: Ethyl 5-acetyl-2-amino-4-methylthiophene-3-carboxylate
• Formula: C10 H13 N O3 S
• Calculated formula: C10 H13 N O3 S
• Title of publication: Ethyl 5-acetyl-2-amino-4-methylthiophene-3-carboxylate
• Authors of publication: Akkurt, Mehmet; Yıldırım, Sema Öztürk; Asiri, Abdullah Mohamed; McKee, Vickie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1084
• a: 7.5397 ± 0.0003 Å
• b: 8.4514 ± 0.0003 Å
• c: 16.7058 ± 0.0006 Å
• α: 90°
• β: 94.465 ± 0.001°
• γ: 90°
• Cell volume: 1061.28 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes