Information card for entry 2234667

Structure parameters

• Chemical name: Propyl 2-(4-methylbenzenesulfonamido)benzoate
• Formula: C17 H19 N O4 S
• Calculated formula: C17 H19 N O4 S
• SMILES: CCCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(cc1)C
• Title of publication: Propyl 2-(4-methylbenzenesulfonamido)benzoate
• Authors of publication: Mustafa, Ghulam; Muhmood, Tahir; Khan, Islam Ullah; Akkurt, Mehmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1388
• a: 16.206 ± 0.005 Å
• b: 8.513 ± 0.002 Å
• c: 12.021 ± 0.003 Å
• α: 90°
• β: 92.352 ± 0.002°
• γ: 90°
• Cell volume: 1657 ± 0.8 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: 0.0943
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1569
• Weighted residual factors for all reflections included in the refinement: 0.1782
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes