Received 14 December 2012
aDepartment of Science Education, Faculty of Education, Kastamonu University, 37200 Kastamonu, Turkey,bDepartment of Physics, Institute of Science and Technology, Kastamonu University, 37100 Kastamonu, Turkey,cDepartment of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey,dDepartment of Pharmaceutical Chemistry, Faculty of Pharmacy, Gazi University, 06330 Ankara, Turkey, and eDepartment of Physics, Faculty of Arts and Sciences, Ondokuz Mayis University, 55139 Samsun, Turkey
Correspondence e-mail: email@example.com
In the title compound, C18H15N5O2S, a weak intramolecular C-HS hydrogen bond results in a small dihedral angle of 3.71 (9)° between the methylphenyl and triazole rings, which, in turn, form dihedral angles of 80.09 (8) and 77.32 (8)°, respectively, with the benzoxazolone mean plane. In the crystal, N-HO hydrogen bonds link molecules into chains along , and weak C-HN hydrogen bonds and - interactions between the five- and six-membered rings [centroid-centroid distances = 3.5074 (11) and 3.616 (1) Å] consolidate the crystal packing.
For details of the synthesis, see: Urlu-Cicekli et al. (2012). For related structures, see: Aydin et al. (2005, 2012). For a MOPAC AM1 theoretical full-geometry optimization, see: Dewar et al. (1985); Stewart (1993).
Data collection: X-AREA (Stoe & Cie, 2002); cell refinement: X-AREA; data reduction: X-RED32 (Stoe & Cie, 2002); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999) and PLATON (Spek, 2009).
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: CV5375 ).
The authors acknowledge the Faculty of Arts and Sciences, Ondokuz Mayis University, Turkey, for the use of the Stoe IPDS 2 diffractometer (purchased under grant No. F.279 of the University Research Fund).
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