Information card for entry 2233901

Structure parameters

• Common name: 5,5'-[1,4-Phenylenebis(methylenesulfanediyl)]bis[1,3,4-thiadiazol- 2(3<i>H</i>)-one] dimethyl sulfoxide disolvate
• Chemical name: 5-({4-[(5-oxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)methyl]phenyl}methyl)- 2,3-dihydro-1,3,4-thiadiazol-2-one dimethyl sulfoxide disolvate
• Formula: C16 H22 N4 O4 S6
• Calculated formula: C16 H22 N4 O4 S6
• Title of publication: 5,5'-[1,4-Phenylenebis(methylenesulfanediyl)]bis[1,3,4-thiadiazol-2(3<i>H</i>)-one] dimethyl sulfoxide disolvate
• Authors of publication: Kang, Sung Kwon; Cho, Nam Sook; Jang, Siyoung
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o781
• a: 7.5723 ± 0.0015 Å
• b: 8.3258 ± 0.0017 Å
• c: 10.346 ± 0.002 Å
• α: 109.7 ± 0.04°
• β: 95.74 ± 0.03°
• γ: 91.15 ± 0.03°
• Cell volume: 610 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes