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Methyl 5-(4-acet-oxy-phen-yl)-2-(2-bromo-benzyl-idine)-7-methyl-3-oxo-2,3-di-hydro-5H-1,3-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.

ABSTRACT: In the title mol-ecule, C24H19BrN2O5S, the pyrimidine ring is in a flattened half-chair conformation and the 4-acet-oxy-phenyl group is substituted axially to this ring. The thia-zole ring is essentially planar [with a maximum deviation of 0.012?(2)?Å for the N atom] and forms dihedral angles of 17.65?(13) and 88.95?(11)° with the bromo- and acet-oxy-substituted benzene rings, respectively. The dihedral angle between the benzene rings is 81.84?(13)?Å. In the crystal, pairs of weak C-H?O hydrogen bonds lead to the formation of inversion dimers. A weak C-H?? inter-action and ?-? stacking inter-actions with centroid-centroid distances of 3.5903?(14)?Å are observed.

SUBMITTER: Fathima N

PROVIDER: S-EPMC3793759 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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Methyl 5-(4-acet-oxy-phen-yl)-2-(2-bromo-benzyl-idine)-7-methyl-3-oxo-2,3-di-hydro-5H-1,3-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.

Fathima Nikhath N Nagarajaiah H H Begum Noor Shahina NS

Acta crystallographica. Section E, Structure reports online 20130713 Pt 8

In the title mol-ecule, C24H19BrN2O5S, the pyrimidine ring is in a flattened half-chair conformation and the 4-acet-oxy-phenyl group is substituted axially to this ring. The thia-zole ring is essentially planar [with a maximum deviation of 0.012 (2) Å for the N atom] and forms dihedral angles of 17.65 (13) and 88.95 (11)° with the bromo- and acet-oxy-substituted benzene rings, respectively. The dihedral angle between the benzene rings is 81.84 (13) Å. In the crystal, pairs of weak C-H⋯O hydrogen ...[more]

PMID: 24109346

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