Information card for entry 2204067

Structure parameters

• Chemical name: 2-amino-N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
• Formula: C15 H15 Cl N2 O S
• Calculated formula: C15 H15 Cl N2 O S
• SMILES: s1c(N)c(c2c1CCCC2)C(=O)Nc1c(Cl)cccc1
• Title of publication: 2-Amino-<i>N</i>-(2-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
• Authors of publication: Vasu; K. A. Nirmala; Deepak Chopra; S. Mohan; J.Saravanan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: o1431 - o1432
• a: 11.432 ± 0.003 Å
• b: 14.722 ± 0.003 Å
• c: 9.321 ± 0.002 Å
• α: 90°
• β: 113.32 ± 0.003°
• γ: 90°
• Cell volume: 1440.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0604
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes