Information card for entry 2205692

Structure parameters

• Chemical name: 5-acetyl-4-methyl-2-(o-toluidinyl)-1,3-thiazole
• Formula: C13 H14 N2 O S
• Calculated formula: C13 H14 N2 O S
• SMILES: s1c(Nc2c(cccc2)C)nc(c1C(=O)C)C
• Title of publication: 5-Acetyl-4-methyl-2-(<i>o</i>-toluidinyl)-1,3-thiazole
• Authors of publication: Yamin, Bohari M.; Kasim. N. Azilah; Akhiar, Ezuanita
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1478 - o1479
• a: 10.797 ± 0.002 Å
• b: 11.571 ± 0.002 Å
• c: 12.0982 ± 0.0016 Å
• α: 90°
• β: 123.576 ± 0.011°
• γ: 90°
• Cell volume: 1259.3 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.049
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes