Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 1 (January 2013)


organic compounds



aa2080 scheme

Acta Cryst. (2013). E69, o82    [ doi:10.1107/S1600536812049276 ]

6-Ethoxycarbonyl-5,7-dihydroxy-2,3-dihydro-1H-pyrido[3,2,1-ij]quinolinium tribromide

V. B. Rybakov, S. V. Shishkina, I. V. Ukrainets, N. Y. Golik and I. N. Chernenok

Abstract: In the title salt, C15H16NO4+.Br3-, classical intramolecular O-H...O hydrogen bonds are found, which results in the co-planarity of the ester substituents with the quinolinium residue [C-C-C-O torsion angle = 1.0 (10)°]. The bromine anions are placed on both sides of heterocyclic cation and form Br...N contacts of 3.674 (9) and 3.860 (9) Å, which confirms the location of positive charge on the N atom. Non-classical intermolecular C-H...Br interactions stabilize the three-dimensional crystal structure. Moreover, anion...[pi] interactions are noted [Br...ring centroid range = 3.367 (9)-3.697 (9) Å]. The partly saturated heterocycle is disordered over two sofa conformations with occupancies in the ratio 0.56 (2):0.44 (2).


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