Information card for entry 2220460

Structure parameters

• Chemical name: <i>N</i>-Cyclohexyl-2-(2,3-dichlorophenylsulfanyl)acetamide
• Formula: C14 H17 Cl2 N O S
• Calculated formula: C14 H17 Cl2 N O S
• SMILES: S(c1c(Cl)c(Cl)ccc1)CC(=O)NC1CCCCC1
• Title of publication: <i>N</i>-Cyclohexyl-2-(2,3-dichlorophenylsulfanyl)acetamide
• Authors of publication: Li, Zhu-Bo; Li, Jing; Dong, Wen-Liang; Zuo, Hua; He, Xiao-Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o32
• a: 13.427 ± 0.002 Å
• b: 12.877 ± 0.002 Å
• c: 9.1807 ± 0.0016 Å
• α: 90°
• β: 104.849 ± 0.003°
• γ: 90°
• Cell volume: 1534.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0584
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes