Information card for entry 2202698

Structure parameters

• Chemical name: 2-(5-Methyl-4-phenyl-1,3-thiazol-2-yl)-1-phenylethanol
• Formula: C18 H17 N O S
• Calculated formula: C18 H17 N O S
• SMILES: s1c(nc(c1C)c1ccccc1)CC(O)c1ccccc1
• Title of publication: 2-(5-Methyl-4-phenyl-1,3-thiazol-2-yl)-1-phenylethanol
• Authors of publication: Rybakov, Victor B.; Liakina, Antonina Yu.; Popova, Inna S.; Formanovsky, Andrey A.; Aslanov, Leonid A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: o1293 - o1295
• a: 6.282 ± 0.0009 Å
• b: 28.836 ± 0.004 Å
• c: 8.4583 ± 0.0013 Å
• α: 90°
• β: 97.56 ± 0.01°
• γ: 90°
• Cell volume: 1518.9 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes