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A barium perchlorate complex with a lateral macrobicycle derived from 1,10-diaza-15-crown-5 containing a phenol
Fernando Avecilla1, David Esteban, Carlos Platas-Iglesias
1Departamento de Química Fundamental, Universidade da Coruña, Campus da Zapateira s/n, E-15071 A Coruña, Spain.
Abstract:
In the crystal structure of (acetonitrile-kappaN)[13-methyl-39-oxido-1,17,25-triaza-9-azonia-28,31,36-trioxapentacyclo[23.8.5.1(11,15).0(3,8).0(18,23)]nonatriaconta-3,5,7,9,11,13,15(39),16,18,20,22-undecaene-kappa(7)N(1),N(17),N(25),O(28),O(31),O(36),O(39)](perchlorato-kappa(2)O,O')barium(II) perchlorate acetonitrile hemisolvate, [Ba(ClO(4))(C(2)H(3)N)(C(33)H(40)N(4)O(4))]ClO(4) x 0.5CH(3)CN, the barium(II) cation is asymmetrically situated in the macrobicyclic cavity and is bound to seven of the eight heteroatoms of the macrobicyclic ligand, to the N atom of an acetonitrile molecule and to two O atoms of one perchlorate group. The azonia N atom is not coordinated to the barium(II) cation and is involved in an intramolecular hydrogen-bonding interaction with the oxido O atom.