Symmetry-controlled rearrangements in Piedfort Units (PU) of 2,4,6-triaryloxy-1,3,5-triazines

Petra Bombicz, Nikoletta B. Báthori, Alajos Kálmán

Research output: Article

4 Citations (Scopus)

Abstract

2,4,6-triaryloxy-1,3,5-triazines (POT) form in general molecular diads, termed as Piedfort Units (PU), in their crystals and their clathrates. Their bulky phenyl substituents (R = Me, F, Cl, Br, I, CN) in ortho, meta or para position substantially hinder internal rotations. Instead, non-crystallographic rotations (ncr) or translations (nct) are the bridges between the semirigid homologues or analogues, occasionally polymorphs. They occur in the space groups R3c (161), R\bar 3 R 3 ¯ (148), P\bar 3c1 P 3 ¯ c 1 (165), P63/m (176), P\bar 31c P 3 ¯ 1 c (163), P21/c (14), Ia (9), and P\bar 1 P 1 ¯ (2). In each group, the molecules are close to be isometrical, while these groups are linked by non-crystallographic symmetries termed morphotropism. The observed non-crystallographic symmetries are virtual between the homologues and real between their dimorphs. Real ncr's were also found between 4-RPOTs and their clathrate forms. It is demonstrated how e.g. toluene induces real nrc's in its clathrate with 4-IPOT.

Original languageEnglish
Pages (from-to)1611-1619
Number of pages9
JournalStructural Chemistry
Volume26
Issue number5-6
DOIs
Publication statusPublished - dec. 1 2015

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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