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

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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⋯π 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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Rybakov, V. B., Shishkina, S. V., Ukrainets, I. V., Golik, N. Y., & Chernenok, I. N. (2013). 6-Ethoxycarbonyl-5,7-dihydroxy-2,3-dihydro-1H-pyrido[3,2,1-ij]quinolinium tribromide. Acta Crystallographica Section E: Structure Reports Online, 69(1). https://doi.org/10.1107/S1600536812049276

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