In the title compound, C(24)H(22)N(2)O(4)S, the central pyrimidine ring is significantly puckered, assuming a conformation inter-mediate between a boat and a screw boat. The nearly planar thia-zole ring (r.m.s. deviation = 0.0258â à ) is fused with the pyriamidine ring, making a dihedral angle of 9.83â (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 = 85.21â (8)°] whereas the phenyl ring is nearly coplanar, making a dihedral angle of 13.20â (8)°. An intra-molecular C-Hâ¯S hydrogen bond is observed. The crystal packing is influenced by weak inter-molecular C-Hâ¯Ï inter-actions and Ï-Ï stacking between the thia-zole and phenyl rings [centroid-centroid distance = 3.9656â (10)â à ], which stack the mol-ecules along the c axis.
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.
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作者:Jotani Mukesh M, Baldaniya Bharat B, Jasinski Jerry P
| 期刊: | Acta Crystallographica Section E-Structure Reports Online | 影响因子: | 0.600 |
| 时间: | 2010 | 起止号: | 2010 Feb 13; 66(Pt 3):o599-600 |
| doi: | 10.1107/S1600536810004812 | ||
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