Crystal structure of 4-(benzo[d]thiazol-2-yl)-1,2-dimethyl-1H-pyrazol-3(2H)-one

In the title compound, C12H11N3OS, the interplanar angle between the pyrazole and benzothiazole rings is 3.31   (7) ° . In the three-dimensional molecular packing, the carbonyl oxygen acts as acceptor to four C — H donors (with one H...O as short as 2.25   Å ), while one methyl hydrogen is part of the three-centre system H...(S, O). A double layer structure parallel to (\overline{1}01) can be recognized as a subsection of the packing.

Source: Acta Crystallographica Section E - February 16, 2024 Category: Chemistry Authors: Elboshi, H.A. Azzam, R.A. Elgemeie, G.H. Jones, P.G. Tags: crystal structure benzothiazole pyrazolone weak hydrogen bonds research communications Source Type: research