Crystal structure and Hirshfeld surface analysis of phenyl-alanine hydro-bromide.

Abstract

Amino acid salts represent a diverse class of mol-ecular solids in which ionic inter-actions and hy-dro-gen bonding between protonated amino acid species and counter-ions govern the formation of supra-molecular architectures. Phenyl-alanine hydro-bromide (systematic name: 1-carb-oxy-2-phenyl-ethan-1-aminium bromide, C9H12NO2+·Br-) crystallizes in the chiral ortho-rhom-bic space group P212121. Its structure is built from protonated phenyl-alaninium cations, which inter-act with bromide anions through a network of N-H⋯Br and O-H⋯Br hy-dro-gen bonds, forming bilayers propagating parallel to the ab plane, with the polar groups oriented toward the inter-ior of the bilayers. The crystal structure is additionally consolidated by three types of weak T-shaped C(sp2)-H⋯π inter-actions.

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