the x-ray charge density analysis of a hydroxynaphthoquinnne derivative was obtained by multipolar hansen-coppens formalism refinement through high resolution x-ray diffraction data at 100(1) k. the molecularproperties of the title compound resulted from the combined experimental and the quantum theory of atoms inmolecules (qtaim) studies. the topological properties of the covalent bonds and of...

The X-ray charge density analysis of a hydroxynaphthoquinnne derivative was obtained by multipolar Hansen-Coppens formalism refinement through high resolution X-ray diffraction data at 100(1) K. The molecularproperties of the title compound resulted from the combined experimental and the quantum theory of atoms inmolecules (QTAIM) studies. The topological properties of the covalent bonds and of...

a Laboratoire d’Étude et Modélisation des Environnements Littoraux (Lemel), Université de Bretagne Sud, Centre Yves Coppens, Campus de Tohannic, F-56000, Vannes. b Laboratoire de Statistiques Appliquées de BREtagne Sud (Sabres), Université de Bretagne Sud, Centre Yves Coppens, Campus de Tohannic, F-56000, Vannes. c Laboratoire de Mathématiques et Applications des Mathématiques (LMAM) , Universi...

In this issue of Cell, Coppens and coworkers (Coppens et al., 2006) describe how Toxoplasma gondii, an obligate intracellular parasite, feeds on the host. Coppens et al. provide evidence that the parasite takes host cell endosomes and lysosomes hostage by sequestering them where the parasite resides, within invaginations of the parasitophorous vacuole.

models [1] of the charge density derived from X-ray experiments are available. Starting with a multipolar model of the valence deformation density, Stewart was the first to give an analytical expression of the electrostatic potential in this case [2]; his first papers are based mainly on reciprocal-space calculations by Fourier transformation of [ H 2 ] ^weighted structure factors. Direct calcu...

High-resolution crystal structure determination and spherical and multipolar refinement enabled an organic solid solution of 1-(4'-chlorophenyl)-2-methyl-4-nitro-1H-imidazole-5-carbonitrile and 5-bromo-1-(4'-chlorophenyl)-2-methyl-4-nitro-1H-imidazole to be found, which would not normally be revealed using only standard resolution data (ca 0.8 Å), as the disordered part is only visible at high ...

The acknowledgement in the paper by Pearsal, Gembicky, Dominiak, Larsen & Coppens [Acta Cryst. (2007), E63, m2596] is extended and an omitted reference is added.[This corrects the article DOI: 10.1107/S1600536807045321.].