Information card for entry 2236425

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>-Diethyl-2-(4-methylbenzenesulfonamido)benzamide
• Formula: C18 H22 N2 O3 S
• Calculated formula: C18 H22 N2 O3 S
• SMILES: S(=O)(=O)(Nc1c(cccc1)C(=O)N(CC)CC)c1ccc(cc1)C
• Title of publication: <i>N</i>,<i>N</i>-Diethyl-2-(4-methylbenzenesulfonamido)benzamide
• Authors of publication: Altamura, Maria; Fedi, Valentina; Nannicini, Rossano; Paoli, Paola; Rossi, Patrizia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3144 - o3145
• a: 9.4674 ± 0.0006 Å
• b: 12.2882 ± 0.0009 Å
• c: 16.0569 ± 0.0012 Å
• α: 108.426 ± 0.007°
• β: 97.357 ± 0.006°
• γ: 100.245 ± 0.006°
• Cell volume: 1709.7 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes