3-(2-Chloro­ethyl)-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidinium 2,4,6-tri­nitro­phenolate

Jasinski, Jerry P. and Butcher, Ray J. and Hakim Al-Arique, Q. N. M. and Yathirajan, H. S. and Narayana, B. (2009) 3-(2-Chloro­ethyl)-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidinium 2,4,6-tri­nitro­phenolate. Acta Crystallographica Section E, 65 (9). o2201-o2202. ISSN 2056-9890

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Official URL: https://doi.org/10.1107/S1600536809032693


In the cation of the title salt, C11H12ClN2O+·C6H2N3O7−, the chloro­ethyl side chain is in a syn conformation, nearly orthogonal to the pyrimidine ring, with a dihedral angle of 78.9 (6)° between the plane of the chloro­ethyl chain and the pyrimidine ring. The dihedral angle between the fused rings is 4.3 (3)°. In the picrate anion, the benzene mean plane makes dihedral angles of 26.7 (1), 33.6 (2) and 5.3 (6)° with the two o-NO2 groups and the p-NO2 group, respectively. Extensive hydrogen-bond inter­actions occur between the cation–anion pair which help to establish the crystal packing. A three-center O⋯(H,H)—(N,C) acceptor hydrogen bond is observed between the phenolate O atom of the picrate anion and the amine and methyl groups of the cation. An N—H⋯(O,O) bifurcated hydrogen bond is observed between the amine group and two O atoms from the phenolate and o-NO2 groups.

Item Type: Article
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: C Swapna Library Assistant
Date Deposited: 30 Oct 2019 10:26
Last Modified: 30 Oct 2019 10:26
URI: http://eprints.uni-mysore.ac.in/id/eprint/9727

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