Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 3 (March 2013)


organic compounds



lh5582 scheme

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.


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