Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 3 (March 2013)

organic compounds

Acta Cryst. (2013). E69, o412-o413    [ doi:10.1107/S1600536813004315 ]

Powder X-ray investigation of 4,4'-diisocyano-3,3'-dimethyl­biphen­yl

M. Rukiah and M. Al-Ktaifani

Abstract: The title compound, C16H12N2, was investigated in a powder diffraction study and its structure refined utilizing the Rietveld Method. The mol­ecule has approximate C2 symmetry. The dihedral angle between the rings is 25.6 (7)°. The crystal packing is consolidated by weak C-H...C[triple bond]N hydrogen-bond-like contacts, which lead to the formation of a three-dimensional network. Further stabilization of the crystal structure is achived by weak non-covalent [pi]-[pi] inter­actions between aromatic rings, with a centroid-centroid distance of 3.839 (8) Å.

htmldisplay filedownload file

Hyper-Text Markup Language (HTML) file (67.3 kbytes)
[ doi:10.1107/S1600536813004315/lh5582sup0.html ]
Supplementary materials

cmldisplay filedownload file

Chemical Markup Language (CML) file (4.8 kbytes)
[ doi:10.1107/S1600536813004315/lh5582Isup3.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