Affiliations 

  • 1 Department of Chemistry, The University of Texas at San Antonio, One UTSA Circle, San Antonio, Texas 78249-0698, USA
  • 2 Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
Acta Crystallogr Sect E Struct Rep Online, 2014 Apr 1;70(Pt 4):o402-3.
PMID: 24826120 DOI: 10.1107/S1600536814004838

Abstract

The sulfa-thia-zole mol-ecule in the title 1:1 co-crystal, C9H9N3O2S2·C18H12N6, adopts an approximate L-shape [dihedral angle between the five- and six-membered rings = 86.20 (9)°] and features an intra-molecular hypervalent S⋯O inter-action [2.8666 (15) Å]. Overall, the triazine mol-ecule has the shape of a disk as the pendant pyridine rings are relatively close to coplanar with the central ring [dihedral angles = 18.35 (9), 6.12 (9) and 4.67 (9)°]. In the crystal packing, a linear supra-molecular chain aligned along [01-1] is formed as a result of amino-pyridyl N-H⋯N hydrogen bonding with syn-disposed pyridyl mol-ecules of one triazine, and amine-pyridyl N-H⋯N hydrogen bonding with the third pydridyl ring of a second triazine mol-ecule. A three-dimensional architecture arises as the chains are connected by C-H⋯O inter-actions.

* Title and MeSH Headings from MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.