Information card for entry 2204211

Structure parameters

• Chemical name: 2-(acetamido)-4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide
• Formula: C16 H18 N2 O2 S
• Calculated formula: C16 H18 N2 O2 S
• SMILES: s1c(NC(=O)C)c(c(c1C)C)C(=O)Nc1c(cccc1)C
• Title of publication: 2-(Acetamido)-4,5-dimethyl-<i>N</i>-(2-methylphenyl)thiophene-3-carboxamide
• Authors of publication: Vasu; Nirmala, K. A.; Chopra, Deepak; Mohan, S.; Saravanan, J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o1554 - o1556
• a: 7.416 ± 0.002 Å
• b: 8.858 ± 0.003 Å
• c: 23.718 ± 0.008 Å
• α: 90°
• β: 94.566 ± 0.006°
• γ: 90°
• Cell volume: 1553.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0486
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes