Redetermination of ethyl-ene-diammonium bis-(p-methyl-benzene-sulfonate) monohydrate.

Acta Crystallographica Section E Structure Reports Online (Impact Factor: 0.35). 01/2007; 64(Pt 1):o346. DOI: 10.1107/S1600536807066573
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ABSTRACT In the asymmetric unit of the title compound, C(2)H(10)N(2) (2+)·2C(7)H(7)O(3)S(-)·H(2)O, there are two independent 4-methyl-benzene-sulfonate anions, one ethyl-enediammonium cation and a water mol-ecule. The present redetermination was carried out to improve the treatment of disorder, which was not refined in the previous study [Ahn & Kim (1985 ▶). J. Korean Chem. Soc.29, 335-340]. One of the sulfonate groups is disordered over two positions, with site-occupancy factors of 0.588 (14) and 0.412 (14). Inter-molecular N-H⋯O and O-H⋯O hydrogen bonds hold the three components together, affording a layer structure extending parallel to the (001) plane.

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    ABSTRACT: In the title salt, C2H10N2 (2+)·2C14H10NO3 (-), the ethyl-ene-diaminium dication lies on an inversion centre. In the anion, the benzene rings make a dihedral angle of 33.87 (9)° and intramolecular N-H⋯O and C-H⋯O hydrogen bonds occur. All the amino H atoms are involved in N-H⋯O hydrogen bonds. These hydrogen bonds link the ionic units into a three-dimensional network. In addition, the crystal structure also features weak C-H⋯O inter-actions.
    Acta Crystallographica Section E Structure Reports Online 01/2013; 69(Pt 9):o1388. · 0.35 Impact Factor


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