Information card for entry 8107030

Structure parameters

• Formula: C15 H12 N2 S
• Calculated formula: C15 H12 N2 S
• SMILES: s1c(nc(c1c1ccccc1)c1ccccc1)N
• Title of publication: Crystal structure of 4,5-diphenylthiazol-2-amine, C15H12N2S
• Authors of publication: Ghabbour, Hazem A.; Abdel-Aziz, Hatem A.; AlRabiah, Haitham; Alruqi, Obaid S.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 861 - 862
• a: 6.8853 ± 0.0003 Å
• b: 23.8495 ± 0.001 Å
• c: 7.5689 ± 0.0003 Å
• α: 90°
• β: 96.585 ± 0.002°
• γ: 90°
• Cell volume: 1234.7 ± 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: 0.0755
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No