Information card for entry 2224711

Structure parameters

• Chemical name: Bis[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl] ether
• Formula: C18 H16 N2 O S4
• Calculated formula: C18 H16 N2 O S4
• SMILES: O(CCSc1nc2c(s1)cccc2)CCSc1nc2c(s1)cccc2
• Title of publication: Bis[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl] ether
• Authors of publication: Chen, Hui-Guo; Li, Xiao-Feng; An, Yan; Yao, Li-Hui; Liu, Wei-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o125
• a: 24.617 ± 0.003 Å
• b: 4.7085 ± 0.0003 Å
• c: 17.7866 ± 0.0015 Å
• α: 90°
• β: 116.571 ± 0.013°
• γ: 90°
• Cell volume: 1843.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0511
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes