Information card for entry 2006709

Structure parameters

• Chemical name: 1-(p-Chlorophenyl)-4(2-thienyl)pyrrolidin-2-one-5-carboxylic acid
• Formula: C15 H12 Cl N O3 S
• Calculated formula: C15 H12 Cl N O3 S
• Title of publication: 1-(<i>p</i>-Chlorophenyl)-5-oxo-3-(2-thienyl)pyrrolidine-2-carboxylic Acid
• Authors of publication: Jayanta Kumar Ray; Bidhan Chandra Roy; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 1622 - 1624
• a: 10.758 ± 0.001 Å
• b: 23.899 ± 0.002 Å
• c: 5.9 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1516.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for all reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.0714
• Goodness-of-fit parameter for all reflections: 0.816
• Goodness-of-fit parameter for significantly intense reflections: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No