Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 1 (January 2013)

organic compounds

Acta Cryst. (2013). E69, o82    [ doi:10.1107/S1600536812049276 ]

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

V. B. Rybakov, S. V. Shishkina, I. V. Ukrainets, N. Y. Golik and I. N. Chernenok

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...[pi] 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).

htmldisplay filedownload file

Hyper-Text Markup Language (HTML) file
[ doi:10.1107/S1600536812049276/aa2080sup0.html ]
Supplementary materials

cmldisplay filedownload file

Chemical Markup Language (CML) file
[ doi:10.1107/S1600536812049276/aa2080Isup3.cml ]
Supplementary material


To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.

 bibliographic record in  format

  Find reference:   Volume   Page   
  Search:     From   to      Advanced search

Copyright © International Union of Crystallography
IUCr Webmaster