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


ABSTRACT: In the title compound, C14H14Cl2N2O3, the chloro-phenyl ring makes a dihedral angle of 87.08?(9)° with the tetra-hydro-pyrimidine ring. There is a short intra-molecular C-H?O contact present. 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. The dimers are linked via a second pair of N-H?O hydrogen bonds, this time enclosing an R (4) 4(20) ring motif, forming ribbons along [100]. The ribbons are linked via C-H?O hydrogen bonds, forming sheets lying parallel to (001). The terminal ethyl group is disordered over two positions with an occupancy ratio of 0.654?(17):0.346?(17).

SUBMITTER: Bharanidharan S 

PROVIDER: S-EPMC4257316 | biostudies-literature | 2014 Nov

REPOSITORIES: biostudies-literature

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

Bharanidharan S S   Saleem H H   Gunasekaran B B   Padusha M Syed Ali MS   Suresh M M  

Acta crystallographica. Section E, Structure reports online 20141024 Pt 11


In the title compound, C14H14Cl2N2O3, the chloro-phenyl ring makes a dihedral angle of 87.08 (9)° with the tetra-hydro-pyrimidine ring. There is a short intra-molecular C-H⋯O contact present. 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. The dimers are linked via a second pair of N-H⋯O hydrogen bonds, this time enclosing an R (4) 4(20) ring motif, forming ribbons along [100]. The ribbons are linked via C-H⋯O hydro  ...[more]

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