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Ethyl 3-eth-oxy-carbonyl-methyl-7-methyl-5-phenyl-5H-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.

ABSTRACT: In the title compound, C(20)H(22)N(2)O(4)S, the central pyrimidine ring incorporating a chiral C atom is significantly puckered and adopts a slight boat conformation with C atom bearing the phenyl ring and the N atom opposite displaced by 0.367?(2) and 0.107?(2)?Å, respectively, from the plane formed by the remaining ring atoms. The benzene ring is positioned axially to the pyrimidine ring, making a dihedral angle of 88.99?(5)°. The thia-zole ring is essentially planar (r.m.s. deviation = 0.0033?Å). In the crystal, pairs of C-H?O inter-actions result in centrosymmetric dimers with graph-set motifs R(1) (2)(7) and R(2) (2)(8). A weak C-H?? contact is also observed.

SUBMITTER: Nagarajaiah H

PROVIDER: S-EPMC3470232 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature

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Ethyl 3-eth-oxy-carbonyl-methyl-7-methyl-5-phenyl-5H-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.

Nagarajaiah H H Begum Noor Shahina NS

Acta crystallographica. Section E, Structure reports online 20120908 Pt 10

In the title compound, C(20)H(22)N(2)O(4)S, the central pyrimidine ring incorporating a chiral C atom is significantly puckered and adopts a slight boat conformation with C atom bearing the phenyl ring and the N atom opposite displaced by 0.367 (2) and 0.107 (2) Å, respectively, from the plane formed by the remaining ring atoms. The benzene ring is positioned axially to the pyrimidine ring, making a dihedral angle of 88.99 (5)°. The thia-zole ring is essentially planar (r.m.s. deviation = 0.0033 ...[more]

PMID: 23125676

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