Molecular recognition in the solid state: topology of experimental and theoretical charge densities for tetrasulfur tetranitrideElectronic supplementary information (ESI) available: experimental details; listing of geometrical and topological parameters; fractional atomic coordinates and mean square atomic displacement parameters; multipole population coefficients; expansion and contraction coefficients; description of the local coordinate systems and basis set information. See http://www.rsc.org/suppdata/cc/a9/a910209o/

Abstract

Topological analysis of experimental and theoretical charge densities in tetrasulfur tetranitride clarifies features of the intramolecular bonding; intermolecular charge concentrations reveal directional ‘key–lock’ interactions corresponding to molecular recognition in the solid state.