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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 |
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author | Rybakov, Victor B. Shishkina, Svitlana V. Ukrainets, Igor V. Golik, Nikolai Yu. Chernenok, Igor N. |
author_facet | Rybakov, Victor B. Shishkina, Svitlana V. Ukrainets, Igor V. Golik, Nikolai Yu. Chernenok, Igor N. |
author_sort | Rybakov, Victor B. |
collection | PubMed |
description | 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). |
format | Online Article Text |
id | pubmed-3588293 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-35882932013-03-08 6-Ethoxycarbonyl-5,7-dihydroxy-2,3-dihydro-1H-pyrido[3,2,1-ij]quinolinium tribromide Rybakov, Victor B. Shishkina, Svitlana V. Ukrainets, Igor V. Golik, Nikolai Yu. Chernenok, Igor N. Acta Crystallogr Sect E Struct Rep Online Organic Papers 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). International Union of Crystallography 2012-12-15 /pmc/articles/PMC3588293/ /pubmed/23476464 http://dx.doi.org/10.1107/S1600536812049276 Text en © Rybakov et al. 2013 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Rybakov, Victor B. Shishkina, Svitlana V. Ukrainets, Igor V. Golik, Nikolai Yu. Chernenok, Igor N. 6-Ethoxycarbonyl-5,7-dihydroxy-2,3-dihydro-1H-pyrido[3,2,1-ij]quinolinium tribromide |
title | 6-Ethoxycarbonyl-5,7-dihydroxy-2,3-dihydro-1H-pyrido[3,2,1-ij]quinolinium tribromide |
title_full | 6-Ethoxycarbonyl-5,7-dihydroxy-2,3-dihydro-1H-pyrido[3,2,1-ij]quinolinium tribromide |
title_fullStr | 6-Ethoxycarbonyl-5,7-dihydroxy-2,3-dihydro-1H-pyrido[3,2,1-ij]quinolinium tribromide |
title_full_unstemmed | 6-Ethoxycarbonyl-5,7-dihydroxy-2,3-dihydro-1H-pyrido[3,2,1-ij]quinolinium tribromide |
title_short | 6-Ethoxycarbonyl-5,7-dihydroxy-2,3-dihydro-1H-pyrido[3,2,1-ij]quinolinium tribromide |
title_sort | 6-ethoxycarbonyl-5,7-dihydroxy-2,3-dihydro-1h-pyrido[3,2,1-ij]quinolinium tribromide |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588293/ https://www.ncbi.nlm.nih.gov/pubmed/23476464 http://dx.doi.org/10.1107/S1600536812049276 |
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