Information card for entry 8106863

Structure parameters

• Formula: C12 H12 Cl N O2 S3
• Calculated formula: C12 H12 Cl N O2 S3
• Title of publication: Crystal structure of (Z)-5-(4-chlorobenzylidene)-2-thioxothiazolidin-4-one —dimethylsulfoxide (1:1), C12H12ClNO2S3
• Authors of publication: Barakat, Assem; Ghabbour, Hazem A.; Al-Majid, Abdullah Mohammed; Said, Mohamed M.; El Tamany, El Sayed H.; Fun, Hoong-Kun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 319 - 320
• a: 4.4065 ± 0.0007 Å
• b: 12.326 ± 0.002 Å
• c: 13.399 ± 0.002 Å
• α: 91.807 ± 0.006°
• β: 96.032 ± 0.006°
• γ: 96.667 ± 0.006°
• Cell volume: 718.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1605
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No