Information card for entry 2311178

Structure parameters

• Chemical name: [4-(4-Methoxyphenyl)-2-(pyridin-3-yl)-1,3-thiazol-5-yl][4-(trifluoromethyl)phenyl]methanone
• Formula: C23 H15 F3 N2 O2 S
• Calculated formula: C23 H15 F3 N2 O2 S
• SMILES: s1c(nc(c1C(=O)c1ccc(cc1)C(F)(F)F)c1ccc(OC)cc1)c1cccnc1
• Title of publication: [4-(4-Meth-oxy-phen-yl)-2-(pyridin-3-yl)-1,3-thia-zol-5-yl][4-(tri-fluoro-meth-yl)phen-yl]methanone.
• Authors of publication: Pampa, K. J.; Abdoh, M. M. M.; Swaroop, T. R.; Rangappa, K. S.; Lokanath, N. K.
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 9
• Pages of publication: o1434
• a: 19.4157 ± 0.0005 Å
• b: 7.6564 ± 0.0002 Å
• c: 27.404 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4073.72 ± 0.18 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No