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4-Ammonio-benzamidinium dichloride.

Legrand YM, van der Lee A, Barboiu M - Acta Crystallogr Sect E Struct Rep Online (2008)

Bottom Line: 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 π-stacked, with a centroid-centroid distance of 4.178 (1) Å.

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Affiliation: Institut Européen des Membranes, UMR 5635, CC 047 Université de Montpellier II, Montpellier, France.

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 π-stacked, with a centroid-centroid distance of 4.178 (1) Å.

No MeSH data available.


Related in: MedlinePlus

Representation of the hydrogen bonding network between the cations and the chloride anions, giving rise to a pyramidal scaffold architecture. Hydrogen bonds are denoted by dotted lines.
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Fap3: Representation of the hydrogen bonding network between the cations and the chloride anions, giving rise to a pyramidal scaffold architecture. Hydrogen bonds are denoted by dotted lines.


4-Ammonio-benzamidinium dichloride.

Legrand YM, van der Lee A, Barboiu M - Acta Crystallogr Sect E Struct Rep Online (2008)

Representation of the hydrogen bonding network between the cations and the chloride anions, giving rise to a pyramidal scaffold architecture. Hydrogen bonds are denoted by dotted lines.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2961352&req=5

Fap3: Representation of the hydrogen bonding network between the cations and the chloride anions, giving rise to a pyramidal scaffold architecture. Hydrogen bonds are denoted by dotted lines.
Bottom Line: 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 π-stacked, with a centroid-centroid distance of 4.178 (1) Å.

View Article: PubMed Central - HTML - PubMed

Affiliation: Institut Européen des Membranes, UMR 5635, CC 047 Université de Montpellier II, Montpellier, France.

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 π-stacked, with a centroid-centroid distance of 4.178 (1) Å.

No MeSH data available.


Related in: MedlinePlus