X-ray Charge-Dens Study of 5-Chloro-8-hydroxy-6-methyloaphthalene-l.4-dione: A Hydroxynaphthoquinone Derivative

Abstract

The X-ray charge density analysis of a hydroxynaphthoquinnne derivative was obtained by multipolar Hansen-<br />Coppens formalism refinement through high resolution X-ray diffraction data at 100(1) K. The molecular<br />properties of the title compound resulted from the combined experimental and the quantum theory of atoms in<br />molecules (QTAIM) studies. The topological properties of the covalent bonds and of the hydrogen bonds have<br />been investigated.