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. 2021 Dec 21;6(Pt 12):x211332.
doi: 10.1107/S2414314621013328. eCollection 2021 Dec.

1,3-Thia-zole-4-carbo-nitrile

Affiliations

1,3-Thia-zole-4-carbo-nitrile

Martin J G Fait et al. IUCrdata. .

Abstract

The title compound, C4H2N2S, is a 1,3-thia-zole substituted in the 4-position by a nitrile group. In the crystal, C-H⋯N hydrogen bonds and aromatic π-π stacking inter-actions are observed.

Keywords: crystal structure; hydrogen bonding; nitrile group; thia­zole; π–π stacking inter­action.

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Figures

Figure 1
Figure 1
Mol­ecular structure of the title compound with atom labelling and displacement ellipsoids drawn at 50% probability level.
Figure 2
Figure 2
Packing diagram for the title compound along the a axis. Ellipsoids are drawn at the 30% probability level. Hydrogen bonds are shown as dotted lines.

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