Clathration by Tris(2,3-naphthalenedioxy)cyclotriphosphazene. An X-ray Crystal and Molecular Structure Study

H. R. Allcock, Martha T. Stein

Research output: Contribution to journalArticle

45 Citations (Scopus)

Abstract

Tris(2,3-naphthalenedioxy)cyclotriphosphazene (II) forms channel inclusion adducts with a number of organic molecules. An X-ray single-crystal study of a benzene adduct has shown that at 23° the benzene molecules are disordered and are probably tumbling within the channels, with six benzene molecules being close packed in the channel space within each unit cell. The unit cell is hexagonal, with space group P63/m, and with a = 15.726 (8) Å, c = 10.076 (6) Å, and Z = two host and six benzene molecules. The structure was solved by Patterson, Fourier, and difference syntheses, and refinement to an R index of 0.10 was accomplished by difference-Fourier and least squares techniques. The mean bond distances and angles within the spirophosphazene molecule are P-N = 1.56 (2) Å, P-O = 1.61 (1) Å, N-P-N = 116 (1)°, P-N-P = 124 (1)°, N-P-O = 111 (1)°, and O-P-O = 96 (1)°. The phosphazene ring is planar with the phenylenedioxyphosphole unit lying in a plane that bisects the N-P-N angle. However, the naphthalene unit is bent 2.5° at the bond which joins the two phenyl residues.

Original languageEnglish (US)
Pages (from-to)49-52
Number of pages4
JournalJournal of the American Chemical Society
Volume96
Issue number1
DOIs
StatePublished - Jan 1 1974

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Benzene
Molecular Structure
Molecular structure
Crystal structure
X-Rays
X rays
Molecules
Barreling
Least-Squares Analysis
Naphthalene
Single crystals

All Science Journal Classification (ASJC) codes

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

Cite this

@article{b6562f104f6b45b8b988e01f5dce3b8f,
title = "Clathration by Tris(2,3-naphthalenedioxy)cyclotriphosphazene. An X-ray Crystal and Molecular Structure Study",
abstract = "Tris(2,3-naphthalenedioxy)cyclotriphosphazene (II) forms channel inclusion adducts with a number of organic molecules. An X-ray single-crystal study of a benzene adduct has shown that at 23° the benzene molecules are disordered and are probably tumbling within the channels, with six benzene molecules being close packed in the channel space within each unit cell. The unit cell is hexagonal, with space group P63/m, and with a = 15.726 (8) {\AA}, c = 10.076 (6) {\AA}, and Z = two host and six benzene molecules. The structure was solved by Patterson, Fourier, and difference syntheses, and refinement to an R index of 0.10 was accomplished by difference-Fourier and least squares techniques. The mean bond distances and angles within the spirophosphazene molecule are P-N = 1.56 (2) {\AA}, P-O = 1.61 (1) {\AA}, N-P-N = 116 (1)°, P-N-P = 124 (1)°, N-P-O = 111 (1)°, and O-P-O = 96 (1)°. The phosphazene ring is planar with the phenylenedioxyphosphole unit lying in a plane that bisects the N-P-N angle. However, the naphthalene unit is bent 2.5° at the bond which joins the two phenyl residues.",
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Clathration by Tris(2,3-naphthalenedioxy)cyclotriphosphazene. An X-ray Crystal and Molecular Structure Study. / Allcock, H. R.; Stein, Martha T.

In: Journal of the American Chemical Society, Vol. 96, No. 1, 01.01.1974, p. 49-52.

Research output: Contribution to journalArticle

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N2 - Tris(2,3-naphthalenedioxy)cyclotriphosphazene (II) forms channel inclusion adducts with a number of organic molecules. An X-ray single-crystal study of a benzene adduct has shown that at 23° the benzene molecules are disordered and are probably tumbling within the channels, with six benzene molecules being close packed in the channel space within each unit cell. The unit cell is hexagonal, with space group P63/m, and with a = 15.726 (8) Å, c = 10.076 (6) Å, and Z = two host and six benzene molecules. The structure was solved by Patterson, Fourier, and difference syntheses, and refinement to an R index of 0.10 was accomplished by difference-Fourier and least squares techniques. The mean bond distances and angles within the spirophosphazene molecule are P-N = 1.56 (2) Å, P-O = 1.61 (1) Å, N-P-N = 116 (1)°, P-N-P = 124 (1)°, N-P-O = 111 (1)°, and O-P-O = 96 (1)°. The phosphazene ring is planar with the phenylenedioxyphosphole unit lying in a plane that bisects the N-P-N angle. However, the naphthalene unit is bent 2.5° at the bond which joins the two phenyl residues.

AB - Tris(2,3-naphthalenedioxy)cyclotriphosphazene (II) forms channel inclusion adducts with a number of organic molecules. An X-ray single-crystal study of a benzene adduct has shown that at 23° the benzene molecules are disordered and are probably tumbling within the channels, with six benzene molecules being close packed in the channel space within each unit cell. The unit cell is hexagonal, with space group P63/m, and with a = 15.726 (8) Å, c = 10.076 (6) Å, and Z = two host and six benzene molecules. The structure was solved by Patterson, Fourier, and difference syntheses, and refinement to an R index of 0.10 was accomplished by difference-Fourier and least squares techniques. The mean bond distances and angles within the spirophosphazene molecule are P-N = 1.56 (2) Å, P-O = 1.61 (1) Å, N-P-N = 116 (1)°, P-N-P = 124 (1)°, N-P-O = 111 (1)°, and O-P-O = 96 (1)°. The phosphazene ring is planar with the phenylenedioxyphosphole unit lying in a plane that bisects the N-P-N angle. However, the naphthalene unit is bent 2.5° at the bond which joins the two phenyl residues.

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