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:N^1'-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 Cd^II 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 [M^IIX₂(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 [CdCd = 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:N^1':N^2'-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)]


	Structure factor file (CIF format) (34.7 kbytes) [ doi:10.1107/S0108270112038048/eg3098Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (38.0 kbytes) [ doi:10.1107/S0108270112038048/eg3098IIsup3.hkl ] Contains datablock II

	Structure factor file (CIF format) (92.2 kbytes) [ doi:10.1107/S0108270112038048/eg3098IIIsup4.hkl ] Contains datablock III

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