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

ABSTRACT: In the title compound, C(22)H(17)BrN(2)O(4)S, the central dihydropyrimidine ring, with a chiral C atom, is significantly puckered and adopts a half-chair conformation with the chiral C atom displaced from the mean plane of the remaining ring atoms by 0.305?(6)?Å. The hydroxy-phenyl ring is positioned axially to the pyrimidine ring and almost bisects it, the dihedral angle between the mean-planes of the two rings being 89.78?(12)°. The meth-oxy-carbonyl group is disordered over two sites with an occupancy ratio of 0.568?(5):0.432?(5), resulting in a major and a minor conformer. In the crystal, O-H?N and C-H?S inter-actions result in sheets along the c axis. The supra-molecular assembly is stabilized by ?-? stacking inter-actions between the 2-bromo-benzyl-idene and thia-zolopyrimidine rings [centroid-centroid distance = 3.632?(1)?Å]. In addition, C-H?? inter-actions are also observed in the crystal structure.

SUBMITTER: Nagarajaiah H 

PROVIDER: S-EPMC3344184 | biostudies-other | 2012 Apr

REPOSITORIES: biostudies-other