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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Abstract
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 |
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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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