Information card for entry 2219841

Structure parameters

• Chemical name: <i>N</i>-(4-Chloro-2-nitrophenyl)-<i>N</i>-(methylsulfonyl)acetamide
• Formula: C9 H9 Cl N2 O5 S
• Calculated formula: C9 H9 Cl N2 O5 S
• SMILES: S(=O)(=O)(N(c1c(N(=O)=O)cc(Cl)cc1)C(=O)C)C
• Title of publication: <i>N</i>-(4-Chloro-2-nitrophenyl)-<i>N</i>-(methylsulfonyl)acetamide
• Authors of publication: Zia-ur-Rehman, Muhammad; Akbar, Nosheen; Arshad, Muhammad Nadeem; Khan, Islam Ullah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2092
• a: 9.8071 ± 0.0004 Å
• b: 9.431 ± 0.0004 Å
• c: 13.5679 ± 0.0007 Å
• α: 90°
• β: 105.883 ± 0.002°
• γ: 90°
• Cell volume: 1207 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0696
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes