Information card for entry 2311253

Structure parameters

• Chemical name: 2-Acetyl-5-(3-methoxy-phenyl)-3,7-dimethyl-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylic acid ethyl ester
• Formula: C20 H22 N2 O4 S
• Calculated formula: C20 H22 N2 O4 S
• Title of publication: Crystal structure of 2-acetyl-5-(3-methoxyphenyl)-3,7-dimethyl-5H-1,3-thiazolo[3,2-a]pyrimidine-6-carboxylate.
• Authors of publication: Prasad, N. L.; Krishnamurthy, M. S.; Nagarajaiah, H.; Begum, Noor Shahina
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2014
• Journal volume: 70
• Journal issue: Pt 11
• Pages of publication: o1204
• a: 8.281 ± 0.003 Å
• b: 9.68 ± 0.004 Å
• c: 12.821 ± 0.005 Å
• α: 76.423 ± 0.01°
• β: 86.308 ± 0.01°
• γ: 74.641 ± 0.011°
• Cell volume: 963.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1281
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No