Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 1 (January 2007)

organic compounds

sq3046 scheme

Acta Cryst. (2007). C63, o14-o16 [ doi:10.1107/S0108270106048451 ]

o-Chloro- and o-bromobenzonitrile: pseudosymmetry and pseudo-isostructural packing

D. Britton

Abstract: The structures of o-chlorobenzonitrile, C₇H₄ClN, (I), and o-bromobenzonitrile, C₇H₄BrN, (II), have similar packing arrangements, even though Z' = 4 in (I) and Z' = 1 in (II). Both structures involve XN interactions, as well as weak C-HX and C-HN hydrogen bonds. The four crystallographically independent molecules in (I) are related by pseudosymmetry.

Formula: C₇H₄ClN and C₇H₄BrN


	Structure factor file (CIF format) (283.8 kbytes) [ doi:10.1107/S0108270106048451/sq3046Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (74.9 kbytes) [ doi:10.1107/S0108270106048451/sq3046IIsup3.hkl ] Contains datablock II

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