Acta Cryst. (2007). E63, m2316  [ doi:10.1107/S1600536807038305 ]

Diaqua[2,6-bis(2,6-diethyl-4-sulfonatophenyl)-3,5-dimethyl-2,6-diazoniaheptan-4-ido]sodium(I)

X. Guo, Q. Wang, K. Harms and H. Sun

Abstract: The title compound, [Na(C₂₅H₃₃N₂O₆S₂)(H₂O)₂], was obtained as a product of the reaction of sodium 4-amino-3,5-diethylbenzenesulfonate with acetylacetone in the presence of hydrochloric acid in methanol. The molecule lies on a crystallographic twofold rotation axis and is a `triple' internal salt which has three positive charge centers and three negative charge centers. The Na atom has a tetrahedral coordination geometry. The O atoms of the sulfonate groups are disordered over two positions with site occupancy factors of 0.87 and 0.13; the methyl groups of the ethyl substituents are disordered equally over two positions.

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