Information card for entry 2202158

Structure parameters

• Chemical name: 2,2'-[1,2-phenylenebis(methylenethio)]bis[5-methyl-1,3,4-thiadiazole]
• Formula: C14 H14 N4 S4
• Calculated formula: C14 H14 N4 S4
• SMILES: Cc1nnc(s1)SCc1ccccc1CSc1nnc(s1)C
• Title of publication: 2,2'-[1,2-Phenylenebis(methylenethio)]bis(5-methyl-1,3,4-thiadiazole)
• Authors of publication: Yan Zheng; Hai-Bo Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: o34 - o35
• a: 18.1 ± 0.01 Å
• b: 9.239 ± 0.005 Å
• c: 11.216 ± 0.006 Å
• α: 90°
• β: 114.764 ± 0.008°
• γ: 90°
• Cell volume: 1703.1 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes