On the supramolecular symmetries of the Piedfort units formed by 2,4,6-triaryloxy-1,3,5-triazines

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8 Citations (Scopus)

Abstract

The basic forms of supramolecular symmetries in the molecular diads (Piedfort units, PUs) observed in the crystal structures of 2,4,6-triaryloxy-1, 3,5-triazines (n-RPOT, n = 2, 3, 4, R = halogen atoms or alkyl groups) are revisited, their extended canonical classification is given, and descriptions including symbols and graphical presentation are improved. The semirigid molecules in their column are stacked around a C3 axis which may associate (i) with three parallel glide planes (C3(g)) having the angle of 120°, (ii) centers of inversion (C3i), or (iii) three perpendicular 2-fold axes (D3) with an angle of 120°. In addition,_the present work demonstrates that the columns formed by the C 3(g)-PUs (space group R3c) and C3i-PUs (space group R3̄) are related by noncrystallographic rotations (ncr). Similarly, the columns containing D3-PUs are formed from C3i-PUs by ncr's. It is proved that the occurrence of the D3-PUs is inseparable from the presence of the C3i-PUs in the crystal structures of several 3-RPOT derivatives in space group P3̄c1.

Original languageEnglish
Pages (from-to)2821-2823
Number of pages3
JournalCrystal Growth and Design
Volume8
Issue number8
DOIs
Publication statusPublished - aug. 2008

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Triazines
Crystal structure
Halogens
symmetry
Derivatives
Atoms
crystal structure
Molecules
halogens
occurrences
inversions
atoms
molecules

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

Cite this

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title = "On the supramolecular symmetries of the Piedfort units formed by 2,4,6-triaryloxy-1,3,5-triazines",
abstract = "The basic forms of supramolecular symmetries in the molecular diads (Piedfort units, PUs) observed in the crystal structures of 2,4,6-triaryloxy-1, 3,5-triazines (n-RPOT, n = 2, 3, 4, R = halogen atoms or alkyl groups) are revisited, their extended canonical classification is given, and descriptions including symbols and graphical presentation are improved. The semirigid molecules in their column are stacked around a C3 axis which may associate (i) with three parallel glide planes (C3(g)) having the angle of 120°, (ii) centers of inversion (C3i), or (iii) three perpendicular 2-fold axes (D3) with an angle of 120°. In addition,_the present work demonstrates that the columns formed by the C 3(g)-PUs (space group R3c) and C3i-PUs (space group R3̄) are related by noncrystallographic rotations (ncr). Similarly, the columns containing D3-PUs are formed from C3i-PUs by ncr's. It is proved that the occurrence of the D3-PUs is inseparable from the presence of the C3i-PUs in the crystal structures of several 3-RPOT derivatives in space group P3̄c1.",
author = "P. Bombicz and A. K{\'a}lm{\'a}n",
year = "2008",
month = "8",
doi = "10.1021/cg701107x",
language = "English",
volume = "8",
pages = "2821--2823",
journal = "Crystal Growth and Design",
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T1 - On the supramolecular symmetries of the Piedfort units formed by 2,4,6-triaryloxy-1,3,5-triazines

AU - Bombicz, P.

AU - Kálmán, A.

PY - 2008/8

Y1 - 2008/8

N2 - The basic forms of supramolecular symmetries in the molecular diads (Piedfort units, PUs) observed in the crystal structures of 2,4,6-triaryloxy-1, 3,5-triazines (n-RPOT, n = 2, 3, 4, R = halogen atoms or alkyl groups) are revisited, their extended canonical classification is given, and descriptions including symbols and graphical presentation are improved. The semirigid molecules in their column are stacked around a C3 axis which may associate (i) with three parallel glide planes (C3(g)) having the angle of 120°, (ii) centers of inversion (C3i), or (iii) three perpendicular 2-fold axes (D3) with an angle of 120°. In addition,_the present work demonstrates that the columns formed by the C 3(g)-PUs (space group R3c) and C3i-PUs (space group R3̄) are related by noncrystallographic rotations (ncr). Similarly, the columns containing D3-PUs are formed from C3i-PUs by ncr's. It is proved that the occurrence of the D3-PUs is inseparable from the presence of the C3i-PUs in the crystal structures of several 3-RPOT derivatives in space group P3̄c1.

AB - The basic forms of supramolecular symmetries in the molecular diads (Piedfort units, PUs) observed in the crystal structures of 2,4,6-triaryloxy-1, 3,5-triazines (n-RPOT, n = 2, 3, 4, R = halogen atoms or alkyl groups) are revisited, their extended canonical classification is given, and descriptions including symbols and graphical presentation are improved. The semirigid molecules in their column are stacked around a C3 axis which may associate (i) with three parallel glide planes (C3(g)) having the angle of 120°, (ii) centers of inversion (C3i), or (iii) three perpendicular 2-fold axes (D3) with an angle of 120°. In addition,_the present work demonstrates that the columns formed by the C 3(g)-PUs (space group R3c) and C3i-PUs (space group R3̄) are related by noncrystallographic rotations (ncr). Similarly, the columns containing D3-PUs are formed from C3i-PUs by ncr's. It is proved that the occurrence of the D3-PUs is inseparable from the presence of the C3i-PUs in the crystal structures of several 3-RPOT derivatives in space group P3̄c1.

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