Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 12 (December 2007)


organic compounds



hj3057 scheme

Acta Cryst. (2007). C63, o723-o725    [ doi:10.1107/S0108270107052535 ]

Weak C-H...N[triple bond]C hydrogen bonds in the structures of two poly(cyano)-substituted ring systems

P. G. Jones, H. Hopf, C. Mlynek and V. N. Swaminathan

Abstract: In benzene-1,2,3-tricarbonitrile, C9H3N3, the packing of the two independent molecules is three-dimensional and complex, involving inter alia bifurcated (C-H)2...N systems from neighbouring CH groups. In [2.2]paracyclophane-4,5,12,13-tetracarbonitrile, C20H12N4, the [2.2]paracyclophane systems display the usual distortions, namely lengthened C-C bonds and widened sp3 angles in the bridges, narrow angles in the six-membered rings at the bridgehead atoms, and flattened boat conformations of the rings. The molecules are linked by a series of C-H...N interactions to form layers parallel to the ab plane.

Formula: C9H3N3 and C20H12N4


hkldisplay filedownload file

Structure factor file (CIF format) (126.8 kbytes)
[ doi:10.1107/S0108270107052535/hj3057IIsup2.hkl ]
Contains datablock II


hkldisplay filedownload file

Structure factor file (CIF format) (211.8 kbytes)
[ doi:10.1107/S0108270107052535/hj3057Vsup3.hkl ]
Contains datablock V


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