Information card for entry 2227026

Structure parameters

• Chemical name: 4,4'-Diphenyl-2,2'-bi-1,3-thiazole
• Formula: C18 H12 N2 S2
• Calculated formula: C18 H12 N2 S2
• SMILES: c1ccc(cc1)c1csc(n1)c1scc(n1)c1ccccc1
• Title of publication: 4,4'-Diphenyl-2,2'-bi-1,3-thiazole
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2030
• a: 5.7769 ± 0.0004 Å
• b: 7.6573 ± 0.0005 Å
• c: 17.196 ± 0.0012 Å
• α: 90°
• β: 99.614 ± 0.001°
• γ: 90°
• Cell volume: 749.99 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes