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Crystal structure of 4-{2-[4-(di-methyl-amino)-phen-yl]diazen-1-yl}-1-methyl-pyridinium iodide.

ABSTRACT: The mol-ecular geometry of the ionic title compound, C14H17N4 (+)·I(-) or DAZOP(+)·I(-), is essentially featureless. Regarding the crystal structure, in addition to the obvious cation-anion Coulombic inter-actions, the packing is mostly directed by non-covalent inter-actions involving both ring systems, as well as the iodide anion. It consists of cationic mol-ecules aligned along [101] and disposed in an anti-parallel fashion while linked into π-bonded dimeric entities by a stacking contact involving symmetry-related phenyl rings, with a centroid-centroid distance of 3.468 (3) Å and a slippage of 0.951 Å. The dimers are, in addition, sustained by a number of C-H⋯I and I⋯π (I⋯centroid = 3.876 Å) inter-actions involving the anion. Finally, inter-dimeric contacts are of the C-H⋯I and C-H⋯π types.

SUBMITTER: Chulvi K

PROVIDER: S-EPMC4719983 | biostudies-literature | 2015 Dec

REPOSITORIES: biostudies-literature

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Crystal structure of 4-{2-[4-(di-methyl-amino)-phen-yl]diazen-1-yl}-1-methyl-pyridinium iodide.

Chulvi Katherine K Costero Ana A Ochando Luis E LE Gaviña Pablo P

Acta crystallographica. Section E, Crystallographic communications 20151219 Pt 12

The mol-ecular geometry of the ionic title compound, C14H17N4 (+)·I(-) or DAZOP(+)·I(-), is essentially featureless. Regarding the crystal structure, in addition to the obvious cation-anion Coulombic inter-actions, the packing is mostly directed by non-covalent inter-actions involving both ring systems, as well as the iodide anion. It consists of cationic mol-ecules aligned along [101] and disposed in an anti-parallel fashion while linked into π-bonded dimeric entities by a stacking contact invo ...[more]

PMID: 26870502

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