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Ethyl (2Z)-2-(3-methoxy-benzyl-idene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-1,3-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.
| Content Provider | Europe PMC |
|---|---|
| Author | Jotani, Mukesh M. Baldaniya, Bharat B. Jasinski, Jerry P. |
| Copyright Year | 2010 |
| Abstract | In the title compound, C24H22N2O4S, the central pyrimidine ring is significantly puckered, assuming a conformation intermediate between a boat and a screw boat. The nearly planar thiazole ring (r.m.s. deviation = 0.0258 Å) is fused with the pyriamidine ring, making a dihedral angle of 9.83 (7)°. The carboxyl group is in an extended conformation with an anti-periplanar orientation with respect to the dihydropyrimidine ring. The benzene ring linked at the chiral C atom is perpendicular to the pyrimidine ring [dihedral angle = 85.21 (8)°] whereas the phenyl ring is nearly coplanar, making a dihedral angle of 13.20 (8)°. An intramolecular C—H⋯S hydrogen bond is observed. The crystal packing is influenced by weak intermolecular C—H⋯π interactions and π–π stacking between the thiazole and phenyl rings [centroid–centroid distance = 3.9656 (10) Å], which stack the molecules along the c axis. |
| Journal | Acta crystallographica. Section E, Structure Reports Online |
| Volume Number | 66 |
| PubMed Central reference number | PMC2983585 |
| Issue Number | Pt 3 |
| Issue Number | pt 3 |
| PubMed reference number | 21580360 |
| e-ISSN | 16005368 |
| DOI | 10.1107/s1600536810004812 |
| Language | English |
| Publisher | International Union of Crystallography |
| Publisher Date | 2010-02-13 |
| Access Restriction | Open |
| Rights License | This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. © Jotani et al. 2010 |
| Content Type | Text |
| Resource Type | Article |
| Subject | Chemistry Condensed Matter Physics Materials Science |
