Information card for entry 2311313

Structure parameters

• Chemical name: 2-Amino-<i>N</i>-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
• Formula: C15 H15 F N2 O S
• Calculated formula: C15 H15 F N2 O S
• SMILES: s1c2c(c(C(=O)Nc3ccccc3F)c1N)CCCC2
• Title of publication: Crystal structure of 2-amino-N-(2-fluoro-phen-yl)-4,5,6,7-tetra-hydro-1-benzo-thio-phene-3-carboxamide.
• Authors of publication: Chandra Kumar, K.; Umesh, V.; Madhura, T. K.; Rajesh, B. M.; Chandra, ?
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: Pt 11
• Pages of publication: o807 - 8
• a: 11.213 ± 0.013 Å
• b: 14.231 ± 0.017 Å
• c: 9.582 ± 0.015 Å
• α: 90°
• β: 116.76 ± 0.03°
• γ: 90°
• Cell volume: 1365 ± 3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.836
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No