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Ethyl 2-(4-carb-oxy-benzyl-idene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate-N,N-dimethyl-formamide (1/1).

ABSTRACT: In the title compound, C(24)H(20)N(2)O(5)S·C(3)H(7)NO, a benzene ring is positioned axially to the pyrimidine ring, which adopts a twist-boat conformation, and is inclined to its mean plane by 85.36?(7)°. In the crystal, inter-molecular C-H?O inter-actions result in centrosymmetric head-to-head dimers with an R(2) (2)(14) graph-set motif along the b axis. Pairs of C-H?O and O-H?O hydrogen bonds form centrosymmetric head-to-head dimers about inversion centres, corresponding to an R(2) (2)(7) graph-set motif along the a axis.

SUBMITTER: Banu NA

PROVIDER: S-EPMC3275196 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature

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Ethyl 2-(4-carb-oxy-benzyl-idene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate-N,N-dimethyl-formamide (1/1).

Banu Noor Afshan NA Bheema Raju V V

Acta crystallographica. Section E, Structure reports online 20120118 Pt 2

In the title compound, C(24)H(20)N(2)O(5)S·C(3)H(7)NO, a benzene ring is positioned axially to the pyrimidine ring, which adopts a twist-boat conformation, and is inclined to its mean plane by 85.36 (7)°. In the crystal, inter-molecular C-H⋯O inter-actions result in centrosymmetric head-to-head dimers with an R(2) (2)(14) graph-set motif along the b axis. Pairs of C-H⋯O and O-H⋯O hydrogen bonds form centrosymmetric head-to-head dimers about inversion centres, corresponding to an R(2) (2)(7) grap ...[more]

PMID: 22347052

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