Information card for entry 2209605

Structure parameters

• Chemical name: 1-[(4-Methylphenyl)sulfonyl]pyrrolidin-2-one
• Formula: C11 H13 N O3 S
• Calculated formula: C11 H13 N O3 S
• Title of publication: 1-[(4-Methylphenyl)sulfonyl]pyrrolidin-2-one
• Authors of publication: Zareef, Muhammad; Iqbal, Rashid; Zaidi, Javid H.; Arfan, Muhammad; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2955 - o2957
• a: 8.144 ± 0.005 Å
• b: 13.717 ± 0.01 Å
• c: 10.644 ± 0.008 Å
• α: 90°
• β: 108.27 ± 0.03°
• γ: 90°
• Cell volume: 1129.1 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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 all reflections: 0.042
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes