Acta Crystallographica Section E (Jun 2012)
10-(Prop-2-yn-1-yl)-2,7-diazaphenothiazineAzinyl sulfides. Part CXXVII.
Abstract
In the title molecule [systematic name: 10-(prop-2-yn-1-yl)dipyrido[3,4-b:3′,4′-e][1,4]thiazine], C13H9N3S, the dihedral angle between the two pyridine rings is 146.33 (7)° and the angle between two halves of the thiazine ring is 138.84 (8)°, resulting in a butterfly shape for the tricyclic system. The central thiazine ring adopts a boat conformation, with the 2-propynyl substituent at the thiazine N atom located in a pseudo-equatorial position and oriented to the concave side of the diazaphenothiazine system. In the crystal, molecules are arranged via π–π interactions between the pyridine rings [centroid–centroid distances = 3.838 (1) and 3.845 (1) Å] into stacks extending along [001]. There are C—H...C and C—H...N interactions between molecules of neighbouring stacks.