Information card for entry 2234146

Structure parameters

• Chemical name: 5-(4-Methylphenylsulfonyl)-1,3-dithiolo[4,5-<i>c</i>]pyrrole-2-thione
• Formula: C12 H9 N O2 S4
• Calculated formula: C12 H9 N O2 S4
• Title of publication: 5-(4-Methylphenylsulfonyl)-1,3-dithiolo[4,5-<i>c</i>]pyrrole-2-thione
• Authors of publication: Zheng, Ning-Juan; Yin, Bing-Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1046
• a: 15.687 ± 0.01 Å
• b: 10.485 ± 0.009 Å
• c: 8.255 ± 0.004 Å
• α: 90°
• β: 96.19 ± 0.03°
• γ: 90°
• Cell volume: 1349.9 ± 1.6 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes