Information card for entry 2227459

Structure parameters

• Chemical name: Ethyl 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
• Formula: C18 H19 N O3 S
• Calculated formula: C18 H19 N O3 S
• Title of publication: Ethyl 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
• 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: 10
• Pages of publication: o2652
• a: 8.1061 ± 0.0002 Å
• b: 10.6593 ± 0.0003 Å
• c: 19.0554 ± 0.0005 Å
• α: 90°
• β: 92.5 ± 0.001°
• γ: 90°
• Cell volume: 1644.92 ± 0.08 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes