title: 2-(3-pyridyl)-1,3,8-triazanaphthalene, a product of the catalytic transformation of 3-cyanopyridine.
abstract: The title compound, C(12)H(8)N(4), was obtained by thermal treatment of 3-cyanopyridine in the presence of magnesium phthalocyanine as catalyst. The X-ray structure analysis, in direct contrast to molecular orbital calculations corresponding to the gas phase, shows the molecule to be non-planar in the solid state, with an interplanar angle between the pyridine and 1,3,8-triazanaphthalene rings of 13.33 (9) degrees. Molecules related to one another by cell translation, and positioned at intervals consistent with pi-pi intermolecular interactions, form stacks in the b direction.
authors.affiliation: W. Trzebiatowski Institute of Low Temperature and Structure Research, Polish Academy of Sciences, PO Box 1410, 50-950 Wrocław, Poland. janczak@int.pan.wroc.pl
authors.forename: Jan
authors.initials: J
authors.lastname: Janczak
authors.forename: Ryszard
authors.initials: R
authors.lastname: Kubiak