Information card for entry 2003452

Structure parameters

• Formula: C11 H16 N2 O4 S
• Calculated formula: C11 H16 N2 O4 S
• Title of publication: <i>N</i>,<i>N</i>-Diethyl-4-(methylsulfonyl)-2-nitroaniline
• Authors of publication: MacNicol, D. D.; Mallinson, P. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 926 - 927
• a: 5.035 ± 0.001 Å
• b: 11.684 ± 0.001 Å
• c: 21.792 ± 0.003 Å
• α: 90°
• β: 90.54 ± 0.02°
• γ: 90°
• Cell volume: 1281.9 ± 0.3 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.053
• Goodness-of-fit parameter for significantly intense reflections: 2.3
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No