Information card for entry 2241246

Structure parameters

• Chemical name: 2-Cyclohexyl-1,3-thiazolo[4,5-<i>b</i>]pyridine
• Formula: C12 H14 N2 S
• Calculated formula: C12 H14 N2 S
• SMILES: c1(C2CCCCC2)nc2c(cccn2)s1
• Title of publication: Crystal structure of 2-cyclohexyl-1,3-thiazolo[4,5-<i>b</i>]pyridine
• Authors of publication: El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Ajarim, Mansour D.; Kariuki, Benson M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: o866
• a: 7.8884 ± 0.0005 Å
• b: 11.8079 ± 0.0007 Å
• c: 12.2134 ± 0.0006 Å
• α: 90°
• β: 100.589 ± 0.006°
• γ: 90°
• Cell volume: 1118.25 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0674
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes