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

Abstract

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.

Keywords

• crystal structure
• benzothiazole
• pyrazolone
• weak hydrogen bonds