Information card for entry 2240543

Structure parameters

• Common name: 2-(1-Methylethyl)-1,3-thiazolo[4,5-<i>b</i>]pyridine
• Chemical name: 2-(1-Methylethyl)-1,3-thiazolo[4,5-<i>b</i>]pyridine
• Formula: C9 H10 N2 S
• Calculated formula: C9 H10 N2 S
• SMILES: c1(C(C)C)nc2c(cccn2)s1
• Title of publication: Crystal structure of 2-(1-methylethyl)-1,3-thiazolo[4,5-<i>b</i>]pyridine
• Authors of publication: El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alanazi, Saud A.; Kariuki, Benson M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: o272 - o273
• a: 9.6376 ± 0.0002 Å
• b: 10.1602 ± 0.0002 Å
• c: 8.9254 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 873.97 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes