Information card for entry 2214799

Structure parameters

• Common name: 1,4-Bis(benzothiazol-2-yl)benzene
• Chemical name: 1,4-Bis(benzothiazol-2-yl)benzene
• Formula: C20 H12 N2 S2
• Calculated formula: C20 H12 N2 S2
• SMILES: c1ccc2c(c1)sc(n2)c1ccc(cc1)c1nc2c(s1)cccc2
• Title of publication: 1,4-Bis(benzothiazol-2-yl)benzene
• Authors of publication: Bordinhao, Jairo; Visentin, Lorenzo do C.; Machado, Raquel B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3426 - o3426
• a: 22.702 ± 0.005 Å
• b: 6.4839 ± 0.0013 Å
• c: 11.626 ± 0.002 Å
• α: 90°
• β: 110.96 ± 0.03°
• γ: 90°
• Cell volume: 1598.1 ± 0.6 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.041
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes