Issue 1, 2010

Pseudosymmetry as viewed using charge density analysis

Abstract

Peculiarities of chemical bonding in crystalline 3-isopropyl-4-thiomethyl-N6-benzoylsidnone imine with four independent molecules were investigated by means of R. Bader's “Atoms in Molecule” theory. For the fist time the pseudosymmetry phenomenon was explored at both the molecular (charge density within the molecular species) and supramolecular (network of intermolecular interactions) level.

Graphical abstract: Pseudosymmetry as viewed using charge density analysis

Supplementary files

Article information

Article type
Communication
Submitted
19 Jun 2009
Accepted
27 Aug 2009
First published
08 Sep 2009

CrystEngComm, 2010,12, 77-81

Pseudosymmetry as viewed using charge density analysis

Y. V. Nelyubina, M. Yu. Antipin, I. A. Cherepanov and K. A. Lyssenko, CrystEngComm, 2010, 12, 77 DOI: 10.1039/B912147A

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