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. 2008 Jul 26;64(Pt 8):o1604.
doi: 10.1107/S1600536808023258.

1-Phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone

Ozden Ozel Güven, Hakan Tahtacı, Simon J Coles, Tuncer Hökelek

1-Phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone

Ozden Ozel Güven et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the mol-ecule of the title compound, C(10)H(9)N(3)O, the triazole and phenyl rings are nearly perpendicular to each other, with a dihedral angle of 88.72 (4)°. In the crystal structure, inter-molecular C-H⋯O and C-H⋯N hydrogen bonds link the mol-ecules. There are C-H⋯π contacts between the 1,2,4-triazole rings, and between the phenyl and 1,2,4-triazole rings, and there is a weak π-π contact between the 1,2,4-triazole and phenyl rings [centroid-to-centroid distance = 4.547 (1) Å].

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Figures

Fig. 1.
Fig. 1.
The molecular structure of the title molecule with the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.
Fig. 2.
Fig. 2.
A packing diagram of (I). Hydrogen bonds are shown as dashed lines.
See this image and copyright information in PMC

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