Acta Cryst. (2003). E59, m1160-m1163  [ doi:10.1107/S1600536803024000 ]

Interplay of hydrogen bonding and coordination modes in diaquabis(8-hydroxy-7-iodoquinoline-5-sulfonato)calcium(II) monohydrate

S. Francis, P. T. Muthiah, U. Rychlewska and B. Warzajtis

Abstract: In the crystal structure of the title compound, [Ca(C₉H₅INO₄S)₂(H₂O)₂]·H₂O, the asymmetric unit consists of one calcium ion, two organic ligands, two coordinated water molecules and one uncoordinated water molecule. The calcium ion has a pentagonal-bipyramidal geometry, formed by O atoms of three different sulfonate groups, deprotonated O atoms of two different oxine rings and two water molecules. In the ligands of type I, two O atoms of the sulfonate group are involved in coordination, whereas in type II ligands, only one O atom is involved. Ligands of type I are stacked over one another, each pair of adjacent members of the stack being related by an inversion centre. Ligands of type II are also stacked in a similar manner. Both of these molecular stacks are cross-linked by Ca-O(sulfonate) and Ca-O(quinolinol) bonds, leading to a three-dimensional network. This network is further stabilized by a number of O-HO and N-HO hydrogen bonds.

Online 22 November 2003

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