Acta Crystallographica Section E (Jun 2012)

10-(Prop-2-yn-1-yl)-2,7-diazaphenothiazineAzinyl sulfides. Part CXXVII.

  • Beata Morak-Młodawska,
  • Kinga Suwińska,
  • Krystian Pluta,
  • Małgorzata Jeleń

DOI
https://doi.org/10.1107/S1600536812018879
Journal volume & issue
Vol. 68, no. 6
pp. o1590 – o1591

Abstract

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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.