Information card for entry 2207531

Structure parameters

• Chemical name: 1,2-bis[4-(p-chlorophenyl)-1,3-thiazol-2-yl]disulfane
• Formula: C18 H10 Cl2 N2 S4
• Calculated formula: C18 H10 Cl2 N2 S4
• SMILES: Clc1ccc(cc1)c1csc(n1)SSc1scc(n1)c1ccc(cc1)Cl
• Title of publication: A polymorph of 1,2-bis[4-(4-chlorophenyl)-1,3-thiazol-2-yl]disulfane
• Authors of publication: Hartung, Jens; Daniel, Kristina; Schmidt, Philipp; Laug, Stefanie; Svoboda, Ingrid; Fuess, Hartmut
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o3971 - o3973
• a: 20.293 ± 0.003 Å
• b: 9.999 ± 0.003 Å
• c: 37.594 ± 0.003 Å
• α: 90°
• β: 91.53 ± 0.01°
• γ: 90°
• Cell volume: 7625 ± 3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.1098
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No