Information card for entry 2240905

Structure parameters

• Chemical name: 2-(2-Methylphenyl)-1,3-thiazolo[4,5-<i>b</i>]pyridine
• Formula: C13 H10 N2 S
• Calculated formula: C13 H10 N2 S
• SMILES: c1(c2c(cccc2)C)nc2c(cccn2)s1
• Title of publication: Crystal structure of 2-(2-methylphenyl)-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: 8
• Pages of publication: o562 - o563
• a: 7.6702 ± 0.0001 Å
• b: 12.6492 ± 0.0003 Å
• c: 22.9821 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2229.77 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0401
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes