Methyl (E)-2-[(3-chloro-4-cyanophenyl)-imino]-4-(4-chlorophenyl)-6-methyl- 1,2,3,4-tetrahydropyrimidine-5-carboxyl-ate

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Abstract

In the title compound, C20H16C12N 4O2, the dihedral angles between the planes of the chlorophenyl, chlorocyanophenyl-imine 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 C1 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···φ interaction. Both N - H groups participate in separate intermolecular hydrogen-bonding associations with centro-symmetric 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.

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APA

Venugopala, K. N., Nayak, S. K., & Odhav, B. (2012). Methyl (E)-2-[(3-chloro-4-cyanophenyl)-imino]-4-(4-chlorophenyl)-6-methyl- 1,2,3,4-tetrahydropyrimidine-5-carboxyl-ate. Acta Crystallographica Section E: Structure Reports Online, 68(10). https://doi.org/10.1107/S1600536812039451

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