Acta Crystallographica Section E

Structure Reports Online

Volume 70, Part 5 (May 2014)


organic compounds



mw2121 scheme

Acta Cryst. (2014). E70, o577-o578    [ doi:10.1107/S1600536814008496 ]

2-[2,6-Bis(pyrazin-2-yl)pyridin-4-yl]benzoic acid

Y. Shuai, X.-Y. Wang, J.-W. Dai and J.-Z. Wu

Abstract: In the title compound, C20H13N5O2, the two pyrazine rings are nearly coplanar with the central pyridine ring, forming dihedral angles of 2.21 (9) and 4.57 (9)°. In contrast, the strong steric hindrance caused by the ortho-carboxyl group on the phenyl ring makes this ring rotate out of the attached pyridine ring plane by 52.60 (9)°. The carboxyl group is twisted from the phenyl ring by 22.6 (1)°. In the crystal, aromatic [pi]-[pi] stacking inter­actions [centroid-centroid distances = 3.9186 (4) and 3.9794 (5) Å] occur between the anti­parallel mol­ecules, generating infinite chains along [100]. O-H...O hydrogen bonds connect the chains, leading to the formation of a two-dimensional supra­molecular network parallel to (010). Inter­molecular C-H...N hydrogen bonds are also observed.

CCDC reference: 997338


htmldisplay filedownload file

Hyper-Text Markup Language (HTML) file
[ doi:10.1107/S1600536814008496/mw2121sup0.html ]
Supplementary materials


cdxdisplay filedownload file

Chemdraw file (4.2 kbytes)
[ doi:10.1107/S1600536814008496/mw2121Isup3.cdx ]
Supplementary material


cmldisplay filedownload file

Chemical Markup Language (CML) file (6.7 kbytes)
[ doi:10.1107/S1600536814008496/mw2121Isup4.cml ]
Supplementary material


Notes:

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