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6-Ethoxycarbonyl-5,7-dihydroxy-2,3-dihydro-1H-pyrido[3,2,1-ij]quinolinium tribromide
In the title salt, C(15)H(16)NO(4) (+.)Br(3) (−), 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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588293/ https://www.ncbi.nlm.nih.gov/pubmed/23476464 http://dx.doi.org/10.1107/S1600536812049276 |
Sumario: | In the title salt, C(15)H(16)NO(4) (+.)Br(3) (−), 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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