Information card for entry 1561636

Structure parameters

• Chemical name: Ethyl 2-amino-4-methylthiophene-3-carboxylate
• Formula: C8 H11 N O2 S
• Calculated formula: C8 H11 N O2 S
• SMILES: s1c(N)c(c(c1)C)C(=O)OCC
• Title of publication: Ethyl 2-amino-4-methylthiophene-3-carboxylate
• Authors of publication: Khanum, Ghazala; Fatima, Aysha; Sharma, Pooja; Srivastava, S. K.; Butcher, Ray J.
• Journal of publication: IUCrData
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 4
• Pages of publication: x210351
• a: 7.664 ± 0.003 Å
• b: 9.876 ± 0.003 Å
• c: 13.018 ± 0.005 Å
• α: 91.602 ± 0.012°
• β: 104.301 ± 0.013°
• γ: 101.729 ± 0.013°
• Cell volume: 931.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes