Insight into the Electron Density Distribution in an O,N‐Heterocyclic Stannylene by High‐Resolution X‐ray Diffraction Analysis

In this paper we present the synthesis and results of a high‐resolution single‐crystal X‐ray diffraction experiment on the O,N‐heterocyclic stannylene (tBuAPSn) (1) containing the chelate ligand 4,6‐di‐tert‐butyl‐N‐tert‐butyl‐o‐amidophenolate. The experimental work is accompanied by a charge density study based on a topological analysis according to quantum theory of atoms in molecules (QTAIM) together with a NBO calculation of the crystal packing fragment containing a Sn‐Sn bond. According to QTAIM, the Sn‐Sn interaction is covalent (∇2ρ(r)