Information card for entry 2224356

Structure parameters

• Chemical name: <i>N</i>-cyclohexyl-<i>N</i>-ethylbenzenesulfonamide
• Formula: C14 H21 N O2 S
• Calculated formula: C14 H21 N O2 S
• SMILES: S(=O)(=O)(N(C1CCCCC1)CC)c1ccccc1
• Title of publication: A second monoclinic polymorph of <i>N</i>-cyclohexyl-<i>N</i>-ethylbenzenesulfonamide
• Authors of publication: Haider, Zeeshan; Arshad, Muhammad Nadeem; Zia-ur-Rehman, Muhammad; Khan, Islam Ullah; Shafiq, Muhammad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3107
• a: 8.3837 ± 0.0004 Å
• b: 11.4467 ± 0.0005 Å
• c: 15.1488 ± 0.0007 Å
• α: 90°
• β: 92.541 ± 0.002°
• γ: 90°
• Cell volume: 1452.34 ± 0.12 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes