Critical Molecular Coordination Numbers in the Structural Class P21/c, Z = 4(1)
A. M. Banaru, Sergey M. Aksenov, D. А. Banaru
Abstract
The network of intermolecular contacts in an organic crystal contains a finite set of strong contacts sufficient to form a network. These contacts form a subnetwork called the critical one. The critical networks of 4249 homomolecular monosystemic crystal structures of compounds CxHyOz in the most widespread structural class among supergiants P21/c, Z = 4(1) are investigated. The coordination numbers and the topology of the critical networks are analyzed and the prevailing topological types (dia, bnn, pcu, sqp, etc.) are identified. It is found that in 92% of cases the critical net displays parsimony having n + Δ (Δ = 0–2) symmetrically independent contacts, where n is the minimal allowable number.