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2-(Pyridin-2-yl-amino)-pyridinium thio-cyanate acetonitrile monosolvate.

ABSTRACT: The title compound, C(10)H(10)N(3) (+)·NCS(-)·CH(3)CN, is the acetonitrile solvate of the thio-cyanate salt of protonated dipyridin-2-yl-amine. Protonation occurs at one of the pyridine N atoms. The mol-ecular geometry around the central N atom is essentially planar (sum of angles = 359.89°). In the crystal, N-H?N hydrogen bonds, as well as C-H?S contacts link the different residues into chains along the c-axis direction. Inter-action between aromatic systems gives rise to ?-stacking, the shortest distance between two ?-systems being 3.6902?(6)?Å. Both the protonated and the non-protonated pyridyl groups are involved in the latter inter-action.

SUBMITTER: Schmitt B

PROVIDER: S-EPMC3213439 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

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2-(Pyridin-2-yl-amino)-pyridinium thio-cyanate acetonitrile monosolvate.

Schmitt Bonell B Gerber Thomas T Hosten Eric E Betz Richard R

Acta crystallographica. Section E, Structure reports online 20110709 Pt 8

The title compound, C(10)H(10)N(3) (+)·NCS(-)·CH(3)CN, is the acetonitrile solvate of the thio-cyanate salt of protonated dipyridin-2-yl-amine. Protonation occurs at one of the pyridine N atoms. The mol-ecular geometry around the central N atom is essentially planar (sum of angles = 359.89°). In the crystal, N-H⋯N hydrogen bonds, as well as C-H⋯S contacts link the different residues into chains along the c-axis direction. Inter-action between aromatic systems gives rise to π-stacking, the shorte ...[more]

PMID: 22091018

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