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Dataset Information

Methyl (2Z)-2-(2-fluoro-4-meth-oxy-benzyl-idene)-5-(4-meth-oxy-phen-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.


ABSTRACT: The asymmetric unit of the title compound, C(24)H(21)FN(2)O(5)S, consists of two crystallographically independent mol-ecules. In each mol-ecule, the central dihydro-pyrimidine ring is significantly puckered and adopts a conformation which is best described as an inter-mediate between a boat and a screw boat. The least-squares planes of the dihydro-pyrimidine rings are almost coplanar with the fluoro-substituted benzene rings, making dihedral angles of 9.04 (7) and 6.68 (7)°, and almost perpendicular to the meth-oxy-substituted benzene rings with dihedral angles of 89.23 (7) and 88.30 (7)°. In the mol-ecular structure, S(6) ring motifs are formed by C-H⋯O and C-H⋯S hydrogen bonds. In the crystal, mol-ecules are linked into a three-dimensional network by inter-molecular C-H⋯O and C-H⋯F hydro

SUBMITTER: Fun HK 

PROVIDER: S-EPMC3212305 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature