Information card for entry 2234811

Structure parameters

• Chemical name: Butyl 4-(4-methylbenzenesulfonamido)benzoate
• Formula: C18 H21 N O4 S
• Calculated formula: C18 H21 N O4 S
• SMILES: CCCCOC(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C
• Title of publication: Butyl 4-(4-methylbenzenesulfonamido)benzoate
• Authors of publication: Mustafa, Ghulam; Akkurt, Mehmet; Dağdemir, Yılmaz; Khan, Islam Ullah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1541
• a: 17.8216 ± 0.0013 Å
• b: 8.2702 ± 0.0006 Å
• c: 11.9282 ± 0.0008 Å
• α: 90°
• β: 91.001 ± 0.003°
• γ: 90°
• Cell volume: 1757.8 ± 0.2 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: 0.1064
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1948
• Weighted residual factors for all reflections included in the refinement: 0.2182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No