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Crystal structure of ethyl 6-methyl-2-oxo-4-(3,4,5-tri-meth-oxy-phen-yl)-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.

ABSTRACT: In the title compound, C17H22N2O6, the di-hydro-pyrimidine ring adopts a flattened boat conformation. The dihedral angle between the benzene ring and the mean plane of the di-hydro-pyrimidine ring is 75.25?(6)°. In the crystal, mol-ecules are linked via pairs of N-H?O hydrogen bonds, forming inversion dimers with an R 2 (2)(8) ring motif which are linked through N-H?O and weak C-H?O hydrogen bonds. These, together with ?-? ring inter-actions [centroid-centroid distance = 3.7965?(10)?Å], give an overall three-dimensional structure.

SUBMITTER: Novina JJ

PROVIDER: S-EPMC4350754 | biostudies-literature | 2015 Mar

REPOSITORIES: biostudies-literature

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Crystal structure of ethyl 6-methyl-2-oxo-4-(3,4,5-tri-meth-oxy-phen-yl)-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.

Novina J J JJ Vasuki G G Suresh M M Padusha M Syed Ali MS

Acta crystallographica. Section E, Crystallographic communications 20150225 Pt 3

In the title compound, C17H22N2O6, the di-hydro-pyrimidine ring adopts a flattened boat conformation. The dihedral angle between the benzene ring and the mean plane of the di-hydro-pyrimidine ring is 75.25 (6)°. In the crystal, mol-ecules are linked via pairs of N-H⋯O hydrogen bonds, forming inversion dimers with an R 2 (2)(8) ring motif which are linked through N-H⋯O and weak C-H⋯O hydrogen bonds. These, together with π-π ring inter-actions [centroid-centroid distance = 3.7965 (10) Å], give an ...[more]

PMID: 25844251

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