Acta Crystallographica Section C

Crystal Structure Communications

Volume 68, Part 11 (November 2012)

metal-organic compounds

eg3098 scheme

Acta Cryst. (2012). C68, m295-m299    [ doi:10.1107/S0108270112038048 ]

Cadmium(II) chloride, bromide and iodide complexes with 4,4'-bipyrid­azine: when are diazine and halide bridges (in)compatible?

K. V. Domasevitch, J. A. Rusanova, I. A. Gural'skiy and P. V. Solntsev

Abstract: In poly[di-[mu]-chlorido-[mu]-(4,4'-bipyridazine)-[kappa]2N1:N1'-cad­mium(II)], [CdCl2(C8H6N4)]n, (I), and its isomorphous bromide analogue, [CdBr2(C8H6N4)]n, (II), the halide atom lies on a mirror plane and the CdII ion resides at the inter­section of two perpendicular mirror planes with m2m site symmetry. The pyridazine rings of the ligand lie in a mirror plane and are related to each other by a second mirror plane perpendicular to the first. The compounds adopt the characteristic structure of the [MIIX2(bipy)] type (bipy is bipyridine) based on crosslinking of [Cd([mu]-X)2]n chains [Cd-Cl = 2.5955 (9) and 2.6688 (9) Å; Cd-Br = 2.7089 (4) and 2.8041 (3) Å] by bitopic rod-like organic ligands [Cd-N = 2.368 (3)-2.380 (3) Å]. This feature is discussed in terms of supra­molecular stabilization, implying that the periodicity of the inorganic chain [Cd...Cd = 3.7802 (4) Å in (I) and 3.9432 (3) Å in (II)] is favourable for extensive parallel [pi]-[pi] stacking of monodentate pyridazine rings, with centroid-centroid distances of 3.7751 (4) Å in (I) and 3.9359 (4) Å in (II). This is not the case for the longer iodide bridges, which cannot stabilize such a pattern. In poly[tetra-[mu]-iodido-[mu]4-(4,4'-bipyridazine)-[kappa]4N1:N2:N1':N2'-di­cadmium(II)], [Cd2I4(C8H6N4)]n, (III), the ligands are situated across a centre of inversion; they are tetra­dentate [Cd-N = 2.488 (2) and 2.516 (2) Å] and link successive [Cd([mu]-I)2]n chains [Cd-I = 2.8816 (3)-3.0069 (4) Å] into corrugated layers.

Formula: [CdCl2(C8H6N4)], [CdBr2(C8H6N4)] and [Cd2I4(C8H6N4)]

hkldisplay filedownload file

Structure factor file (CIF format)
[ doi:10.1107/S0108270112038048/eg3098Isup2.hkl ]
Contains datablock I

hkldisplay filedownload file

Structure factor file (CIF format)
[ doi:10.1107/S0108270112038048/eg3098IIsup3.hkl ]
Contains datablock {vcif ERROR: unable to open file /journals/webproduction/sites/cjo-test/c/issues/2012/11/00/eg3098/eg3098IIsup3.hkl - exiting}

hkldisplay filedownload file

Structure factor file (CIF format)
[ doi:10.1107/S0108270112038048/eg3098IIIsup4.hkl ]
Contains datablock {vcif ERROR: unable to open file /journals/webproduction/sites/cjo-test/c/issues/2012/11/00/eg3098/eg3098IIIsup4.hkl - exiting}


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