Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 4 (April 2007)


metal-organic compounds



gg3077 scheme

Acta Cryst. (2007). C63, m140-m143    [ doi:10.1107/S0108270107009080 ]

Diaquabis[4-(4H-1,2,4-triazol-4-yl)benzoato-[kappa]2O,O']cobalt(II), and the cadmium(II) and copper(II) analogues: new self-complementary hydrogen-bond donor/acceptor modules for designing hydrogen-bonded frameworks

L. V. Lukashuk, A. B. Lysenko, E. B. Rusanov, A. N. Chernega and K. V. Domasevitch

Abstract: In the isostructural title complexes, [M(C9H6N3O2)2(H2O)2] [M = CoII, (I), CdII, (II), and CuII, (III); the metal centres reside on a twofold axis in the space group C2/c for (I) and (II)], the metal centres are surrounded by four O atoms from two O,O'-bidentate carboxylate groups and by two trans-coordinated aqua ligands, forming a distorted octahedral environment. The molecules possess four hydrogen-bond donor (two aqua ligands) and four hydrogen-bond acceptor sites (two triazole groups), and aggregate by self-association, forming two-dimensional hydrogen-bonded frameworks [via O-H...N interactions; O...N = 2.749 (3)-2.872 (3) Å]. The layers are parallel and are tightly packed with short interlayer distances of 4.93, 4.95 and 5.01 Å for (I), (II) and (III), respectively.

Formula: [Co(C9H6N3O2)2(H2O)2], [Cd(C9H6N3O2)2(H2O)2] and [Cu(C9H6N3O2)2(H2O)2]


hkldisplay filedownload file

Structure factor file (CIF format) (99.2 kbytes)
[ doi:10.1107/S0108270107009080/gg3077Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (106.7 kbytes)
[ doi:10.1107/S0108270107009080/gg3077IIsup3.hkl ]
Contains datablock II


hkldisplay filedownload file

Structure factor file (CIF format) (206.5 kbytes)
[ doi:10.1107/S0108270107009080/gg3077IIIsup4.hkl ]
Contains datablock III


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