In:
Acta Crystallographica Section E Crystallographic Communications, International Union of Crystallography (IUCr), Vol. 75, No. 10 ( 2019-10-01), p. 1525-1530
Abstract:
The syntheses and crystal structures of three cyclotriphosphazenes, all with fluorinated aryloxy side groups that generate different steric characteristics, viz . hexakis(pentafluorophenoxy)cyclotriphosphazene, N 3 P 3 (OC 6 F 5 ) 6 , 1 , hexakis[4-(trifluoromethyl)phenoxy]cyclotriphosphazene, N 3 P 3 [OC 6 H 4 (CF 3 )] 6 , 2 and hexakis[3,5-bis(trifluoromethyl)phenoxy]cyclotriphosphazene, N 3 P 3 [OC 6 H 3 (CF 3 ) 2 ] 6 3 , are reported. Specifically, each phosphorus atom bears either two pentafluorophenoxy, 4-trifluoromethylphenoxy, or 3,5-trifluoromethylphenoxy groups. The central six-membered phosphazene rings display envelope pucker conformations in each case, albeit to varying degrees. The maximum displacement of the `flap atom' from the plane through the other ring atoms [0.308 (5) Å] is seen in 1 , in a molecule that is devoid of hydrogen atoms and which exhibits a `wind-swept' look with all the aromatic rings displaced in the same direction. In 3 an intramolecular C—H(aromatic)...F interaction is observed. All the –CF 3 groups in 2 and 3 exhibit positional disorder over two rotated orientations in close to statistical ratios. The extended structures of 2 and 3 are consolidated by C—H...F interactions of two kinds: ( a ) linear chains, and ( b ) cyclic between molecules related by inversion centers. In both 1 and 3 , one of the six substituted phenyl rings has a parallel-displaced aromatic π–π stacking interaction with its respective symmetry mate with slippage values of 2.2 Å in 1 and 1.0 Å in 3 . None of the structures reported here have solvent voids that could lead to clathrate formation.
Type of Medium:
Online Resource
ISSN:
2056-9890
DOI:
10.1107/S2056989019012933
DOI:
10.1107/S2056989019012933/hb7853sup1.cif
DOI:
10.1107/S2056989019012933/hb78531sup2.hkl
DOI:
10.1107/S2056989019012933/hb78531sup5.mol
DOI:
10.1107/S2056989019012933/hb78532sup4.hkl
DOI:
10.1107/S2056989019012933/hb78532sup6.mol
DOI:
10.1107/S2056989019012933/hb78533sup3.hkl
DOI:
10.1107/S2056989019012933/hb78533sup7.mol
Language:
Unknown
Publisher:
International Union of Crystallography (IUCr)
Publication Date:
2019
detail.hit.zdb_id:
2843762-7
detail.hit.zdb_id:
2041947-8
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