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4-Ammonio-benzamidinium dichloride.

ABSTRACT: The crystal structure of the title compound, C(7)H(11)N(3) (2+)·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 tetra-hedral environment. The aromatic rings of the amidinium cations are ?-stacked, with a centroid-centroid distance of 4.178?(1)?Å.

SUBMITTER: Legrand YM

PROVIDER: S-EPMC2961352 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

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4-Ammonio-benzamidinium dichloride.

Legrand Y M YM van der Lee A A Barboiu M M

Acta crystallographica. Section E, Structure reports online 20080503 Pt 6

The crystal structure of the title compound, C(7)H(11)N(3) (2+)·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 ( ...[more]

PMID: 21202697

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