Information card for entry 2209574

Structure parameters

• Chemical name: 2-Anilino-4,5-dimethyl-1,3-thiazole
• Formula: C11 H12 N2 S
• Calculated formula: C11 H12 N2 S
• SMILES: s1c(Nc2ccccc2)nc(C)c1C
• Title of publication: 2-Anilino-4,5-dimethyl-1,3-thiazole
• Authors of publication: Jumal, Juliana.; Yamin, Bohari M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2893 - o2894
• a: 21.697 ± 0.006 Å
• b: 7.86 ± 0.002 Å
• c: 12.617 ± 0.003 Å
• α: 90°
• β: 102.535 ± 0.005°
• γ: 90°
• Cell volume: 2100.4 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.12
• 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