Information card for entry 2218616

Structure parameters

• Chemical name: 2-Amino-N-(2-methoxyphenyl)-4,5-dimethylthiophene-3-carboxamide
• Formula: C14 H16 N2 O2 S
• Calculated formula: C14 H16 N2 O2 S
• SMILES: Nc1sc(c(c1C(=O)Nc1ccccc1OC)C)C
• Title of publication: 2-Amino-<i>N</i>-(2-methoxyphenyl)-4,5-dimethylthiophene-3-carboxamide
• Authors of publication: Chandra Kumar, K.; Kokila, M. K.; Puttaraja; Saravanan, J.; Kulkarni, Manohar V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1311
• a: 8.606 ± 0.002 Å
• b: 7.5193 ± 0.0019 Å
• c: 21.297 ± 0.005 Å
• α: 90°
• β: 100.599 ± 0.005°
• γ: 90°
• Cell volume: 1354.6 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.1
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes