Information card for entry 2206840

Structure parameters

• Chemical name: 5-acetyl-4-methyl-2-(2-fluorophenylamino)-1,3-thiazole
• Formula: C12 H11 F N2 O S
• Calculated formula: C12 H11 F N2 O S
• SMILES: s1c(Nc2c(F)cccc2)nc(c1C(=O)C)C
• Title of publication: 5-Acetyl-4-methyl-2-(2-fluorophenylamino)-1,3-thiazole
• Authors of publication: Kasim, Noor Azilah M.; Akbari, Aulia; Yamin, Bohari M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3490 - o3491
• a: 5.0205 ± 0.0011 Å
• b: 13.081 ± 0.003 Å
• c: 17.598 ± 0.004 Å
• α: 90°
• β: 97.085 ± 0.004°
• γ: 90°
• Cell volume: 1146.9 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.059
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes