<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>69(Pt 1)</volume><submitter>Rybakov VB</submitter><pubmed_abstract>In the title salt, C15H16NO4(+.)Br3(-), classical intra-molecular 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 inter-molecular C-H⋯Br inter-actions stabilize the three-dimensional crystal structure. Moreover, anion⋯π inter-actions 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).</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>o82</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC3588293</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>6-Eth-oxy-carbonyl-5,7-dihy-droxy-2,3-dihydro-1H-pyrido[3,2,1-ij]quinolinium tribromide.</pubmed_title><pmcid>PMC3588293</pmcid><pubmed_authors>Shishkina SV</pubmed_authors><pubmed_authors>Rybakov VB</pubmed_authors><pubmed_authors>Chernenok IN</pubmed_authors><pubmed_authors>Ukrainets IV</pubmed_authors><pubmed_authors>Golik NY</pubmed_authors></additional><is_claimable>false</is_claimable><name>6-Eth-oxy-carbonyl-5,7-dihy-droxy-2,3-dihydro-1H-pyrido[3,2,1-ij]quinolinium tribromide.</name><description>In the title salt, C15H16NO4(+.)Br3(-), classical intra-molecular 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 inter-molecular C-H⋯Br inter-actions stabilize the three-dimensional crystal structure. Moreover, anion⋯π inter-actions 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).</description><dates><release>2013-01-01T00:00:00Z</release><publication>2013 Jan</publication><modification>2025-04-04T10:35:50.689Z</modification><creation>2019-03-27T01:05:36Z</creation></dates><accession>S-EPMC3588293</accession><cross_references><pubmed>23476464</pubmed><doi>10.1107/S1600536812049276</doi></cross_references></HashMap>