Please use this identifier to cite or link to this item: https://hdl.handle.net/10321/804
Title: Methyl (E)-2-[(3-chloro-4-cyanophenyl)imino]-4-(4-chlorophenyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Authors: Venugopala, Katharigatta Narayanaswamy 
Nayak, Susanta K. 
Odhav, Bharti 
Issue Date: Oct-2012
Publisher: International Union of Crystallography
Source: Venugopala, K.N., Nayak, S.K. and Odhav B. 2012. Methyl (E)-2-[(3-chloro-4-cyanophenyl)imino]-4-(4-chlorophenyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate. Acta Crystallographica Section E Structure Reports Online. Vol. 68(10): o2977-o2978
Abstract: 
In the title compound, C20H16Cl2N4O2, the dihedral angles between the planes of the chlorophenyl, chlorocyanophenylimine and ester groups and the plane of the six-membered tetrahydropyrimidine ring are 86.9 (2), 72.6 (2) and 7.9 (2)°, respectively. The Cl atom substituent on the cyanophenyl ring is disordered over two rotationally related sites [occupancy factors 0.887 (2):0.113 (2)], while the molecular conformation is stabilized by the presence of an intramolecular aromatic C-H...[pi] interaction. Both N-H groups participate in separate intermolecular hydrogen-bonding associations with centrosymmetric cyclic motifs [graph sets R22(8) and R22(12)], resulting in ribbons parallel to [010]. Further weak C-H...O hydrogen bonds link these ribbons into a two-dimensional molecular assembly.
URI: http://hdl.handle.net/10321/804
DOI: http://dx.doi.org/10.1107/S1600536812039451
Appears in Collections:Research Publications (Applied Sciences)

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