Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 3 (March 2013)

organic compounds

Acta Cryst. (2013). E69, o346-o347    [ doi:10.1107/S1600536813003012 ]

Benzylammonium hepta­noate-hepta­noic acid (1/1)

M. H. Wood and S. M. Clarke

Abstract: The title salt, C7H10N+·C7H13O2-·C7H14O2, is an unusual 2:1 stoichiometric combination of two carb­oxy­lic acid mol­ecules and one amine. Although there are crystal structures of a number of 1:1 complexes reported in the literature, 2:1 acid amine complexes are rather uncommon. In this case, a proton is transferred between one acid mol­ecule and the amine to give an acid anion and an ammonium cation whilst the other carb­oxy­lic acid remains protonated. The species inter­act strongly via electrostatic forces and hydrogen bonds. In addition we note that the N atom of the ammonium group makes four close contacts to surrounding O atoms. Three of these are hydrogen bonds with neighbouring acid anions while the fourth does not involve a hydrogen atom but is directed towards the carbonyl O atom of the protonated acid. Each of the acid anion O atoms accepts two hydrogen bonds from adjacent N atoms. There is also evidence of short C-H...O contacts. There is disorder (occupancy ratio 0.51:0.49) in the alkyl chain of one of the carb­oxy­lic acid mol­ecules.

htmldisplay filedownload file

Hyper-Text Markup Language (HTML) file
[ doi:10.1107/S1600536813003012/mw2101sup0.html ]
Supplementary materials

cmldisplay filedownload file

Chemical Markup Language (CML) file
[ doi:10.1107/S1600536813003012/mw2101Isup3.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