Information card for entry 2228354

Structure parameters

• Chemical name: Diethyl 5-acetamido-3-methylthiophene-2,4-dicarboxylate
• Formula: C13 H17 N O5 S
• Calculated formula: C13 H17 N O5 S
• SMILES: s1c(NC(=O)C)c(c(c1C(=O)OCC)C)C(=O)OCC
• Title of publication: Diethyl 5-acetamido-3-methylthiophene-2,4-dicarboxylate
• Authors of publication: Mukhtar, Asma; Tahir, M. Nawaz; Khan, Misbahul Ain; Khan, Muhammad Naeem
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3171
• a: 15.933 ± 0.003 Å
• b: 4.6028 ± 0.0006 Å
• c: 20.152 ± 0.003 Å
• α: 90°
• β: 106.005 ± 0.007°
• γ: 90°
• Cell volume: 1420.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1434
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes