Acta Cryst. (2008). E64, o967-o968  [ doi:10.1107/S1600536808010179 ]

4-Ammoniobenzamidinium dichloride

Y. M. Legrand, A. van der Lee and M. Barboiu

Abstract: The crystal structure of the title compound, C₇H₁₁N₃²⁺·2Cl^-, has been determined as part of a project focusing on the ability of the benzamidine system to form strong hydrogen bonds in aqueous media. It is commonly used as a ligand in affinity chromatography for purification and immobilization of enzymes. A twofold rotation axis runs along the axis of the cation. The orientation of the amidinium group with respect to the benzene ring is indicated by the N-C-C-C torsion angle of 40.2 (1)°. In the crystal structure, cations and anions are linked via hydrogen bonds. The chloride anion is surrounded by four ammonium cations in a tetrahedral environment. The aromatic rings of the amidinium cations are -stacked, with a centroid-centroid distance of 4.178 (1) Å.

Online 3 May 2008

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