Information card for entry 2224660

Structure parameters

• Chemical name: Methyl 2-[(methylsulfonyl)(propyl)amino]benzoate
• Formula: C12 H17 N O4 S
• Calculated formula: C12 H17 N O4 S
• Title of publication: Methyl 2-[(methylsulfonyl)(propyl)amino]benzoate
• Authors of publication: Shafiq, Muhammad; Tahir, M. Nawaz; Khan, Islam Ullah; Arshad, Muhammad Nadeem; Haider, Zeeshan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o248
• a: 10.1762 ± 0.0004 Å
• b: 15.0178 ± 0.0006 Å
• c: 18.09 ± 0.0008 Å
• α: 90°
• β: 92.787 ± 0.002°
• γ: 90°
• Cell volume: 2761.3 ± 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: 0.1544
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes