Information card for entry 2233461

Structure parameters

• Chemical name: 4-(3-Methylbenzenesulfonamido)phenyl 3-methylbenzenesulfonate
• Formula: C20 H19 N O5 S2
• Calculated formula: C20 H19 N O5 S2
• Title of publication: 4-(3-Methylbenzenesulfonamido)phenyl 3-methylbenzenesulfonate
• Authors of publication: Al-Najjar, Belal O.; Tengku Muhammad, Tengku Sifzizul; Wahab, Habibah A.; Rosli, Mohd Mustaqim; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o258
• a: 14.4352 ± 0.0001 Å
• b: 9.125 ± 0.0001 Å
• c: 15.4402 ± 0.0002 Å
• α: 90°
• β: 109.7 ± 0.001°
• γ: 90°
• Cell volume: 1914.76 ± 0.04 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes