Information card for entry 2214587

Structure parameters

• Chemical name: 1,1' sulfonyldiimidazole
• Formula: C6 H6 N4 O2 S
• Calculated formula: C6 H6 N4 O2 S
• SMILES: S(=O)(=O)(n1ccnc1)n1ccnc1
• Title of publication: 1,1'-Sulfonyldiimidazole
• Authors of publication: Patel, Urmila H.; Patel, Bharat D.; Modh, Rajesh D.; Patel, Pinal D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3598 - o3599
• a: 7.285 ± 0.002 Å
• b: 11.012 ± 0.004 Å
• c: 20.646 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1656.3 ± 0.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes