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. 2013 Apr 10;69(Pt 5):o684.
doi: 10.1107/S1600536813009252. Print 2013 May 1.

3-[(4-Phenyl-piperazin-1-yl)meth-yl]-5-(thio-phen-2-yl)-2,3-di-hydro-1,3,4-oxa-diazole-2-thione

Affiliations

3-[(4-Phenyl-piperazin-1-yl)meth-yl]-5-(thio-phen-2-yl)-2,3-di-hydro-1,3,4-oxa-diazole-2-thione

Ali A El-Emam et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the title compound, C17H18N4OS2, the 2-thienyl ring is disordered over two co-planar, opposite orientations in a 0.684 (2): 0.316 ratio. The 1,3,4-oxa-diazole ring is almost co-planar with the attached 2-thienyl ring [dihedral angles of 5.34 (19) and 4.8 (5)° for the major and minor components, respectively]. The relative disposition of the thione- and ring-S atoms is anti for the major orientation of the 2-thienyl residue. Overall, the shape of the mol-ecule approximates the letter V. In the crystal, a three-dimensional architecture is consolidated by a combination of weak C-H⋯S and C-H⋯π contacts.

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Figures

Fig. 1.
Fig. 1.
The molecular structure of (I) showing displacement ellipsoids at the 35% probability level. Only the major component of the disordered 2-thienyl ring is shown for reasons of clarity.
Fig. 2.
Fig. 2.
A view of the unit contents in projection down the b axis in (I). The C—H···S and C—H···π contacts are shown as orange and purple dashed lines, respectively.

References

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