Acta Crystallographica Section C

Crystal Structure Communications

Volume 64, Part 3 (March 2008)

metal-organic compounds

ln3086 scheme

Acta Cryst. (2008). C64, m123-m126 [ doi:10.1107/S010827010800303X ]

Supramolecular interaction patterns in the zinc(II) dichloride and tin(IV) tetrachloride complexes with dipyrido[f,h]quinoxaline-6,7-dicarbonitrile

L. Kozlov and I. Goldberg

Abstract: This study characterizes the supramolecular synthons that dominate the intermolecular organization of the title compounds, namely dichloridobis(dipyrido[f,h]quinoxaline-6,7-dicarbonitrile)zinc(II), [ZnCl₂(C₁₆H₆N₆)₂], (I), and tetrachlorido(dipyrido[f,h]quinoxaline-6,7-dicarbonitrile)tin(IV), [SnCl₄(C₁₆H₆N₆)], (II), in their respective crystal structures. Molecules of (I) are located on 2^b axes of rotational symmetry. Their crystal packing is stabilized mostly by [pi] - [pi] stacking and dipole-dipole attractions between the organic ligand fragments of inversion-related neighbouring species, as well as by weak intermolecular C-HN hydrogen bonds. On the other hand, Cl [pi] and N [pi] interactions seem to direct the crystal packing in (II), which is unusual in the sense that its aromatic fragments are not involved in [pi] - [pi] stacking. Molecules of (II) are located on m^b planes of mirror symmetry. This study confirms the diverse structural chemistry of this organic ligand, which can be involved in a wide range of supramolecular interactions. These include effective coordination to various metal ions via the phenathroline N-atom sites, [pi] - [pi] stacking and [pi] halogen contacts through its extended [pi] -system, and hydrogen bonding and N [pi] interactions through its nitrile groups. The competing natures of the latter make it difficult to predict a priori the preferred supramolecular motif that may form in a given structure.

Formula: [ZnCl₂(C₁₆H₆N₆)₂] and [SnCl₄(C₁₆H₆N₆)]


	Structure factor file (CIF format) (168.5 kbytes) [ doi:10.1107/S010827010800303X/ln3086Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (112.8 kbytes) [ doi:10.1107/S010827010800303X/ln3086IIsup3.hkl ] Contains datablock II

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