Acta Crystallographica Section C

Volume 65, Part 12 (December 2009)

metal-organic compounds


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ku3016 scheme

Acta Cryst. (2009). C65, m481-m484    [ doi:10.1107/S0108270109048203 ]

Two two-dimensional hydrogen-bonded coordination networks: bis(3-carboxybenzoato-[kappa]O)bis(4-methyl-1H-imidazole-[kappa]N3)copper(II) and bis(3-methylbenzoato-[kappa]N)bis(4-methyl-1H-imidazole-[kappa]N3)copper(II) monohydrate

Z. Wang and L. Wei

Abstract: The title two-dimensional hydrogen-bonded coordination compounds, [Cu(C8H5O4)2(C4H6N2)2], (I), and [Cu(C8H7O2)2(C4H6N2)2]·H2O, (II), have been synthesized and structurally characterized. The molecule of complex (I) lies across an inversion centre, and the Cu2+ ion is coordinated by two N atoms from two 4-methyl-1H-imidazole (4-MeIM) molecules and two O atoms from two 3-carboxybenzoate (HBDC-) anions in a square-planar geometry. Adjacent molecules are linked through intermolecular N-H...O and O-H...O hydrogen bonds into a two-dimensional sheet with (4,4) topology. In the asymmetric part of the unit cell of (II) there are two symmetry-independent molecules, in which each Cu2+ ion is also coordinated by two N atoms from two 4-MeIM molecules and two O atoms from two 3-methylbenzoate (3-MeBC-) anions in a square-planar coordination. Two neutral complex molecules are held together via N-H...O(carboxylate) hydrogen bonds to generate a dimeric pair, which is further linked via discrete water molecules into a two-dimensional network with the Schläfli symbol (43)2(46,66,83). In both compounds, as well as the strong intermolecular hydrogen bonds, [pi]-[pi] interactions also stabilize the crystal stacking.

Formula: [Cu(C8H5O4)2(C4H6N2)2] and [Cu(C8H7O2)2(C4H6N2)2]·H2O

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Structure factor file (CIF format) (112.6 kbytes)
[ doi:10.1107/S0108270109048203/ku3016Isup2.hkl ]
Contains datablock I

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Structure factor file (CIF format) (478.3 kbytes)
[ doi:10.1107/S0108270109048203/ku3016IIsup3.hkl ]
Contains datablock II

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