Information card for entry 2200010

Structure parameters

• Chemical name: 5-Acetyl-4-methyl-2-phenylamino-1,3-thiazole
• Formula: C12 H12 N2 O S
• Calculated formula: C12 H12 N2 O S
• SMILES: s1c(Nc2ccccc2)nc(c1C(=O)C)C
• Title of publication: 5-Acetyl-4-methyl-2-phenylamino-1,3-thiazole
• Authors of publication: Kasim, Noor Azilah M.; Yamin, Bohari M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3794 - o3795
• a: 12.932 ± 0.006 Å
• b: 7.532 ± 0.003 Å
• c: 24.322 ± 0.011 Å
• α: 90°
• β: 101.236 ± 0.009°
• γ: 90°
• Cell volume: 2323.6 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.098
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes