Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 1 (January 2013)

organic compounds

 

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-HO 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 BrN 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-HBr interactions stabilize the three-dimensional crystal structure. Moreover, anion interactions are noted [Brring 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).

	Hyper-Text Markup Language (HTML) file [ doi:10.1107/S1600536812049276/aa2080sup0.html ] Supplementary materials
	Chemical Markup Language (CML) file (16.3 kbytes) [ doi:10.1107/S1600536812049276/aa2080Isup3.cml ] Supplementary material

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