Information card for entry 2239854

Structure parameters

• Chemical name: 2-<i>tert</i>-Butyl-1,3-thiazolo[4,5-<i>b</i>]pyridine
• Formula: C10 H12 N2 S
• Calculated formula: C10 H12 N2 S
• SMILES: c1(C(C)(C)C)nc2c(cccn2)s1
• Title of publication: Crystal structure of 2-<i>tert</i>-butyl-1,3-thiazolo[4,5-<i>b</i>]pyridine
• Authors of publication: El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Masmali, Ali M.; Kariuki, Benson M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: o932
• a: 9.4606 ± 0.0003 Å
• b: 9.7999 ± 0.0003 Å
• c: 11.1155 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1030.55 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes