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Crystal structure of 2-acetyl-5-(3-methoxyphenyl)-3,7-dimethyl-5H-1,3-thiazolo[3,2-a]pyrimidine-6-carboxylate
- Source :
- Acta Crystallographica Section E, Vol 70, Iss 11, Pp o1204-o1204 (2014), Acta Crystallographica Section E: Structure Reports
- Publication Year :
- 2014
- Publisher :
- International Union of Crystallography (IUCr), 2014.
-
Abstract
- In the title molecule, C20H22N2O4S, the pyrimidine ring is in a flattened half-chair conformation and the 3-methoxyphenyl substituent is in an axial arrangement. The thiazole ring forms a dihedral angle of 81.3 (1)° with the benzene ring. In the crystal, weak C—H...S interactions link molecules into chains along [001]. In addition, there are π–π interactions between inversion-related thiazole rings with a centroid–centroid distance of 3.529 (2) Å. The ethyl group was refined as disordered over two sets of sites with an occupancy ratio of 0.52 (3):0.48 (2).
- Subjects :
- crystal structure
C—H⋯S interactions
Pyrimidine
Substituent
π–π interactions
C—H...S interactions
General Chemistry
Crystal structure
thiazolopyrimidine derivative
Dihedral angle
Condensed Matter Physics
Ring (chemistry)
Bioinformatics
thiazolopyrimidine derivative
Data Reports
lcsh:Chemistry
chemistry.chemical_compound
Crystallography
lcsh:QD1-999
chemistry
π–π interactions
General Materials Science
Ethyl group
Carboxylate
Benzene
Subjects
Details
- ISSN :
- 16005368
- Volume :
- 70
- Database :
- OpenAIRE
- Journal :
- Acta Crystallographica Section E Structure Reports Online
- Accession number :
- edsair.doi.dedup.....f4af3c48ff6846494800f3930434065f