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 [pi]-[pi] 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:N2']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-H...N2' hydrogen bonding [O...N = 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 CdII 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:N2'-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)]


hkldisplay filedownload file

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


hkldisplay filedownload file

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


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