One mol-ecule, three crystal structures: conformational trimorphism of N-[(1S)-1-phenyl-eth-yl]benzamide.

ABSTRACT: The title compound, C₁₅H₁₅NO, is an enanti-opure small mol-ecule, which has been synthesized many times, although its crystal structure was never determined. By recrystallization from a variety of solvent mixtures (pure aceto-nitrile, ethanol-water, toluene-ethanol, THF-methanol), we obtained three unsolvated polymorphs, in space groups P2₁ and P2₁2₁2₁. Form I is obtained from aceto-nitrile, without admixture of other forms, whereas forms II and III are obtained simultaneously by concomitant crystallizations from alcohol-based solvent mixtures. All forms share the same supra-molecular structure, based on infinite C ₁ ¹(4) chain motifs formed by N-H⋯O inter-molec

SUBMITTER: Flores Manuel F 

PROVIDER: S-EPMC7405568 | biostudies-literature | 2020 Aug

REPOSITORIES: biostudies-literature