Information card for entry 2214625

Structure parameters

• Chemical name: 2-Anilino-5-benzoyl-4-phenyl-1,3-thiazole
• Formula: C22 H16 N2 O S
• Calculated formula: C22 H16 N2 O S
• SMILES: s1c(nc(c1C(=O)c1ccccc1)c1ccccc1)Nc1ccccc1
• Title of publication: 2-Anilino-5-benzoyl-4-phenyl-1,3-thiazole
• Authors of publication: Dridi, K.; El Efrit, M. L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3632 - o3632
• a: 13.163 ± 0.004 Å
• b: 9.433 ± 0.004 Å
• c: 14.533 ± 0.002 Å
• α: 90°
• β: 99.33 ± 0.02°
• γ: 90°
• Cell volume: 1780.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes