Information card for entry 2212246

Structure parameters

• Chemical name: 2-Phenyl-6-(methylsulfanyl)thiazolo[5,4-b]pyridine
• Formula: C13 H10 N2 S2
• Calculated formula: C13 H10 N2 S2
• SMILES: s1c(nc2ccc(SC)nc12)c1ccccc1
• Title of publication: 6-(Methylsulfanyl)-2-phenylthiazolo[5,4-<i>b</i>]pyridine
• Authors of publication: Yu, Yong-Qiang; Wang, Yue; Ni, Pei-Zhou; Lu, Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o968 - o969
• a: 19.467 ± 0.004 Å
• b: 5.063 ± 0.001 Å
• c: 12.152 ± 0.002 Å
• α: 90°
• β: 90.09 ± 0.03°
• γ: 90°
• Cell volume: 1197.7 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.2015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes