Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 3 (March 2013)

metal-organic compounds

tp3018 scheme

Acta Cryst. (2013). C69, 219-224 [ doi:10.1107/S0108270113002801 ]

Cadmium(II) iodide and thiocyanate complexes adopted by polycyclic 1,4-bis(pyridazin-4-yl)benzene: interplay of coordination and - stacking interactions

A. S. Degtyarenko and K. V. Domasevitch

Abstract: New complexes containing the 1,4-bis(pyridazin-4-yl)benzene ligand, namely diaquatetrakis[1,4-bis(pyridazin-4-yl)benzene- [kappa] N²]cadmium(II) hexaiodidodicadmate(II), [Cd(C₁₄H₁₀N₄)₄(H₂O)₂][Cd₂I₆], (I), and poly[[ [mu] -1,4-bis(pyridazin-4-yl)benzene- [kappa] ²N²:N^2']bis( [mu] -thiocyanato- [kappa] ²N:S)cadmium(II)], [Cd(NCS)₂(C₁₄H₁₀N₄)]_n, (II), demonstrate the adaptability of the coordination geometries towards the demands of slipped [pi] - [pi] stacking interactions between the extended organic ligands. In (I), the discrete cationic [Cd-N = 2.408 (3) and 2.413 (3) Å] and anionic [Cd-I = 2.709 (2)-3.1201 (14) Å] entities are situated across centres of inversion. The cations associate via complementary O-HN^2' hydrogen bonding [ON = 2.748 (4) and 2.765 (4) Å] and extensive triple [pi] - [pi] stacking interactions between pairs of pyridazine and phenylene rings [centroid-centroid distances (CCD) = 3.782 (4)-4.286 (3) Å] to yield two-dimensional square nets. The [Cd₂I₆]^2- anions reside in channels generated by packing of successive nets. In (II), the Cd^II cation lies on a centre of inversion and the ligand is situated across a centre of inversion. A two-dimensional coordination array is formed by crosslinking of linear [Cd( [mu] -NCS)₂]_n chains [Cd-N = 2.3004 (14) Å and Cd-S = 2.7804 (5) Å] with N²:N^2'-bidentate organic bridges [Cd-N = 2.3893 (12) Å], which generate [pi] - [pi] stacks by double-slipped interactions between phenylene and pyridazine rings [CCD = 3.721 (2) Å].

Formula: [Cd(C₁₄H₁₀N₄)₄(H₂O)₂][Cd₂I₆] and [Cd(NCS)₂(C₁₄H₁₀N₄)]


	Structure factor file (CIF format) (303.1 kbytes) [ doi:10.1107/S0108270113002801/tp3018Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (100.4 kbytes) [ doi:10.1107/S0108270113002801/tp3018IIsup3.hkl ] Contains datablock II

Notes:

To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.

Search: From to Advanced search