M. Barboiu, A. van der Lee
Sep 15, 2003
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Journal
Acta crystallographica. Section C, Crystal structure communications
Abstract
The structure of the supramolecular complex calcium-trifluoromethanesulfonate-1,3-di-4-pyridylurea-methanol (1/2/2/4), Ca(2+) x 2CF(3)SO(3)(-) x 2C(11)H(10)N(4)O x 4CH(4)O, is presented. The Ca(2+) ion lies on an inversion centre and is octahedrally coordinated by four methanol molecules and two trifluoromethanesulfonate counter-ions. The molecular packing is dominated by hydrogen-bonded sheets in the (110) plane which contain R(4)(4)(32) rings; in these rings, significant pi-pi interactions are observed between inversion-related 1,3-di-4-pyridylurea molecules.