Information card for entry 2227224

Structure parameters

• Chemical name: <i>N</i>-Benzyl-<i>N</i>-ethyl-4-methylbenzenesulfonamide
• Formula: C16 H19 N O2 S
• Calculated formula: C16 H19 N O2 S
• SMILES: S(=O)(=O)(N(Cc1ccccc1)CC)c1ccc(cc1)C
• Title of publication: <i>N</i>-Benzyl-<i>N</i>-ethyl-4-methylbenzenesulfonamide
• Authors of publication: Khan, Islam Ullah; Ahmad, Waqar; Arshad, Muhammad Nadeem; Sharif, Shahzad; Ahmed, Jamil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2507
• a: 8.8144 ± 0.0003 Å
• b: 19.7677 ± 0.0006 Å
• c: 9.8914 ± 0.0004 Å
• α: 90°
• β: 117.689 ± 0.001°
• γ: 90°
• Cell volume: 1526.11 ± 0.09 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes