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. 2023 Nov 21;8(Pt 11):x230997.
doi: 10.1107/S2414314623009975. eCollection 2023 Nov.

(E)-3-(1,3-Diphenyl-1 H-pyrazol-4-yl)-1-(thia-zol-2-yl)prop-2-en-1-one

Affiliations

(E)-3-(1,3-Diphenyl-1 H-pyrazol-4-yl)-1-(thia-zol-2-yl)prop-2-en-1-one

Dongsoo Koh. IUCrdata. .

Abstract

In the title mol-ecule, C21H15N3OS, the C5=C6 double bond in the central enone group adopts a trans configuration. The dihedral angle between planes of the thia-zole and pyrazole rings is 6.6 (2)°. In the crystal, pairs of C-H⋯O hydrogen bonds generate inversion dimers and another pair of C-H⋯N hydrogen bonds link the dimers into chains propagating along a-axis direction.

Keywords: C—H⋯O hydrogen bonds; chalcone; crystal structure; heterocycles.

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Figures

Figure 1
Figure 1
The mol­ecular structure of the title compound, showing displacement ellipsoids drawn at the 30% probability level.
Figure 2
Figure 2
Part of the crystal structure of the title compound, showing the weak C—H⋯O hydrogen bonds forming formula image (22) dimers as blue lines. An additional pair of inter­molecular hydrogen C—H⋯N bonds (yellow lines) link the dimers into a chain.

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