Acta Crystallographica Section C

Crystal Structure Communications

Volume 58, Part 11 (November 2002)

Acta Cryst. (2002). C58, o665-o668 [doi:10.1107/S0108270102017018]

Secondary interactions in n-(chloromethyl)pyridinium chlorides (n = 2, 3, 4)

P. G. Jones, F. Vancea and R. Herbst-Irmer

Abstract: In the isomeric title compounds, viz. 2-, 3- and 4-(chloromethyl)pyridinium chloride, C₆H₇ClN⁺·Cl^-, the secondary interactions have been established as follows. Classical N-HCl^- hydrogen bonds are observed in the 2- and 3-isomers, whereas the 4-isomer forms inversion-symmetric N-H(Cl^-)₂H-N dimers involving three-centre hydrogen bonds. Short ClCl contacts are formed in both the 2-isomer (C-ClCl^-, approximately linear at the central Cl) and the 4-isomer (C-ClCl-C, angles at Cl of ca 75°). Additionally, each compound displays contacts of the form C-HCl, mainly to the Cl^- anion. The net effect is to create either a layer structure (3-isomer) or a three-dimensional packing with easily identifiable layer substructures (2- and 4-isomers).

Formula: Three isomers of C₆H₇ClN⁺·Cl^-

Online 22 October 2002


	Structure factor file (CIF format) (103.6 kbytes) Contains datablock I

	Structure factor file (CIF format) (103.3 kbytes) Contains datablock II

	Structure factor file (CIF format) (99.5 kbytes) Contains datablock III

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