Bearing Contacts in the Crystal Structure of 2-(tert-Butyl)-4-Chloro-6-Phenyl-1,3,5-Triazineстатья
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Дата последнего поиска статьи во внешних источниках: 27 июля 2022 г.
Аннотация:The crystal structure of 2-(tert-butyl)-4-chloro-6-phenyl-1,3,5-triazine, which belongs to the veryrare structural class Pma2, Z = 4(m, m), is studied by the methods of Voronoi–Dirichlet molecular polyhedra (VDP) and Hirshfeld surfaces, and by calculating the energy of intermolecular interactions in the atom–atom approximation. The structure is an MDO polytype with partial symmetry operation PO(n2,r) between two symmetrically independent molecules. Structural modifications 1 and 2 are generated, in which the partial symmetry operation becomes a crystallographic one. Networks of bearing contacts are derived in all the structures, and their topological types and coordination numbers are discussed.