Crystal structure of 4-(benzo[]thia-zol-2-yl)-1,2-dimethyl-1-pyrazol-3(2)-one.

Acta Crystallogr E Crystallogr Commun

Institut für Anorganische und Analytische Chemie, Technische Universität Braunschweig, Hagenring 30, D-38106 Braunschweig, Germany.

Published: March 2024

In the title compound, CHNOS, the inter-planar angle between the pyrazole and benzo-thia-zole rings is 3.31 (7)°. In the three-dimensional mol-ecular 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 (01) can be recognized as a subsection of the packing.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10915665PMC
http://dx.doi.org/10.1107/S2056989024001257DOI Listing

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