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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...

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Autores principales: Rybakov, Victor B., Shishkina, Svitlana V., Ukrainets, Igor V., Golik, Nikolai Yu., Chernenok, Igor N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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).
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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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