Information card for entry 2004152

Structure parameters

• Chemical name: 1-(p-Chlorophenyl)-4β(2'-thienyl)-5α-carbomethoxy methyl pyrrolydin-2-one.
• Formula: C17 H16 Cl N O3 S
• Calculated formula: C17 H16 Cl N O3 S
• Title of publication: 1-(<i>p</i>-Chlorophenyl)-5α-methoxycarbonylmethyl-4β-(2-thienyl)pyrrolidin-2-one
• Authors of publication: Sivakumar, K.; Fun, H.-K.; Ray, J. K.; Roy, B. C.; Nigam, G. D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 11
• Pages of publication: 2444 - 2446
• a: 9.632 ± 0.001 Å
• b: 13.094 ± 0.001 Å
• c: 13.226 ± 0.001 Å
• α: 90°
• β: 101.65 ± 0.01°
• γ: 90°
• Cell volume: 1633.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0559
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections: 0.1266
• Weighted residual factors for significantly intense reflections: 0.1215
• Goodness-of-fit parameter for all reflections: 1.082
• Goodness-of-fit parameter for significantly intense reflections: 1.206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No