Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 10 (October 2013)

organic compounds

Acta Cryst. (2013). E69, o1547-o1548    [ doi:10.1107/S1600536813025099 ]

2-(2-Methyl­benzo­yl)benzoic acid: catemeric hydrogen bonding in a [gamma]-keto acid

N. A. Platosz, R. A. Lalancette, H. W. Thompson, J. M. Newman and A. Schachter

Abstract: The crystal structure of the title compound, C15H12O3, displays catemeric aggregation involving O-H...O hydrogen bonds progressing from the carboxyl group of one mol­ecule to the ketone O atom of another glide-related neighbor. The mol­ecule is twisted, with the toluene 80.61 (3)° out of plane with respect to the phenyl group of the benzoic acid. The acid group makes a dihedral angle of 13.79 (14)° with the attached phenyl ring. The mol­ecules are achiral, but the space group glide planes create alternating conformational chirality in the chain units. The four hydrogen-bonding chains progress along [001] in an A-A-B-B pattern (right-to-left versus left-to-right), and are related to each other by the center of symmetry at (0.5, 0.5, 0.5) in the chosen cell. There is one close contact (2.54 Å) between a phenyl H atom and the acid carbonyl from a symmetry-related mol­ecule.

CCDC reference: 960119

htmldisplay filedownload file

Hyper-Text Markup Language (HTML) file (63.9 kbytes)
[ doi:10.1107/S1600536813025099/bg2513sup0.html ]
Supplementary materials

cmldisplay filedownload file

Chemical Markup Language (CML) file (4.7 kbytes)
[ doi:10.1107/S1600536813025099/bg2513Isup3.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