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  • Author: Šafař Peterd x
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Viktor Vrábel, Július Sivýb, Jan Světlíkc, Štefan Marchalínd and Šafař Peterd

Abstract

We report here the crystal and molecular structure of a new chromane-derivative, namely isopropyl( 2R*,3S*,4S*)-4-(benzo[d]thiazol-2-ylamino)-2-hydroxy-2-ethylchromane-3-carboxylate (I), C21H22N2O4S, which crystallizes as racemate in the space group C2/c. Its structure has been solved using X-ray diffraction data obtained at low temperature (100(2) K). In this compound, the chromane moiety consists of a benzene ring fused with a six-membered heterocyclic ring which adopts a distorted half-chair conformation. The molecules are linked by a combination of O-H∙∙∙N and N-H∙∙∙O hydrogen bonds, resulting in a twodimensional network which helps stabilizing the crystal structure of the compound (I). Dihedral angle between the chromane and benzothiazol rings is 80.6(1)0.