Information card for entry 2203333

Structure parameters

• Formula: C14 H13 Cl N2 O S
• Calculated formula: C14 H13 Cl N2 O S
• SMILES: s1c2c(CCC2)c(c1N)C(=O)Nc1ccccc1Cl
• Title of publication: 2-Amino-<i>N</i>-(2-chlorophenyl)-5,6-dihydro-4<i>H</i>-cyclopenta[<i>b</i>]thiophene-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: 3
• Pages of publication: o437 - o438
• a: 9.939 ± 0.003 Å
• b: 29.449 ± 0.008 Å
• c: 9.747 ± 0.003 Å
• α: 90°
• β: 111.912 ± 0.004°
• γ: 90°
• Cell volume: 2646.8 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction 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: 0.0792
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes