Crystal structure and analytical profile of 1,2-diphenyl-2-pyrrolidin-1-ylethanone hydrochloride or ` α -D2PV': a synthetic cathinone seized by law enforcement, along with its diluent sugar, myo-inositol

A confiscated package of street drugs was characterized by the usual mass spectral (MS) and FT – IR analyses. The confiscated powder material was highly crystalline and was found to consist of two very different species, accidentally of sizes convenient for X-ray diffraction. Thus, one each was selected and redundant complete sets of data were collected at 100   K using Cu K α radiation. The selected crystals contained: (a) 1,2-diphenyl-2-(pyrrolidin-1-yl)ethanone hydrochloride hemihydrate or 1-(2-oxo-1,2-diphenylethyl)pyrrolidin-1-ium chloride hemihydrate, C18H20NO+ · Cl − · 0.5H2O, (I), a synthetic cathinone called ` α -D2PV', and (b) the sugar myo-inositol, C6H12O6, (II), probably the only instance in which the drug and its diluent have been fully characterized from a single confiscated sample. Moreover, the structural details of both are rather attractive showing: (i) interesting hydrogen bonding observed in pairwise interactions by the drug molecules, mediated by the chloride counter-anions and the waters of crystallization, and (ii) π – π interactions in the case of the phenyl rings of the drug which are of two different types, namely, π – π stacking and edge-to- π . Finally, the inositol crystallizes with Z ′ = 2 and the resulting diastereoisomers were examined by overlay techniques.

Source: Acta Crystallographica Section C - March 5, 2024 Category: Chemistry Authors: Wood, M.R. Bernal, I. Lalancette, R.A. Tags: crystal structure cathinones bath salts racemic drugs sugars inositol asymmetric units molecular overlays novel psychoactive substances π – interactions hydrogen bonding research papers Source Type: research