A p-xylene clathrate of tris(1,8-naphthalenedioxy)cyclotriphosphazene. X-ray crystal and molecular structure

Harry R. Allcock, Martha T. Stein, E. C. Bissell

Research output: Contribution to journalArticle

26 Citations (Scopus)

Abstract

Tris(1,8-naphthalenedioxy)cyclotriphosphazene (III) forms a clathrate inclusion adduct with p-xylene. An X-ray single-crystal study has shown that the p-xylene molecules are physically trapped in a fixed position within channels that penetrate the lattice. The naphthalenedioxy side groups of the host molecules (III) are bent at the oxygen atoms in such a way that strong host-host interactions stabilize the channel structure. The unit cell is triclinic, with space group P1 and with a = 8.206 (17) Å, b = 14.747 (25) Å, c = 13.318 (23) Å, α = 101.97 (7)°, β = 90.77 (7)°, γ = 109.13 (5)°, and Z = two host molecules and one p-xylene. The structure was solved by symbolic addition methods, and refinement to an R index of 0.058 was accomplished by Fourier and least-squares techniques. The important mean bond angles and distances within the host molecules are P-N = 1.57 Å, P-O = 1.59 Å, N-P-N = 117.9°, P-N-P = 122.1°, N-P-O = 106.7-110.9°, and O-P-O = 102.2°. The phosphazene ring is puckered in a boat conformation.

Original languageEnglish (US)
Pages (from-to)4795-4800
Number of pages6
JournalJournal of the American Chemical Society
Volume96
Issue number15
StatePublished - 1974

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Xylene
Molecular Structure
Molecular structure
Crystal structure
X-Rays
X rays
Molecules
Ships
Least-Squares Analysis
Boats
Oxygen
Conformations
Single crystals
Atoms
4-xylene

All Science Journal Classification (ASJC) codes

  • Chemistry(all)

Cite this

@article{e6ff26d217bc4bafa55de592c7ac8f82,
title = "A p-xylene clathrate of tris(1,8-naphthalenedioxy)cyclotriphosphazene. X-ray crystal and molecular structure",
abstract = "Tris(1,8-naphthalenedioxy)cyclotriphosphazene (III) forms a clathrate inclusion adduct with p-xylene. An X-ray single-crystal study has shown that the p-xylene molecules are physically trapped in a fixed position within channels that penetrate the lattice. The naphthalenedioxy side groups of the host molecules (III) are bent at the oxygen atoms in such a way that strong host-host interactions stabilize the channel structure. The unit cell is triclinic, with space group P1 and with a = 8.206 (17) {\AA}, b = 14.747 (25) {\AA}, c = 13.318 (23) {\AA}, α = 101.97 (7)°, β = 90.77 (7)°, γ = 109.13 (5)°, and Z = two host molecules and one p-xylene. The structure was solved by symbolic addition methods, and refinement to an R index of 0.058 was accomplished by Fourier and least-squares techniques. The important mean bond angles and distances within the host molecules are P-N = 1.57 {\AA}, P-O = 1.59 {\AA}, N-P-N = 117.9°, P-N-P = 122.1°, N-P-O = 106.7-110.9°, and O-P-O = 102.2°. The phosphazene ring is puckered in a boat conformation.",
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A p-xylene clathrate of tris(1,8-naphthalenedioxy)cyclotriphosphazene. X-ray crystal and molecular structure. / Allcock, Harry R.; Stein, Martha T.; Bissell, E. C.

In: Journal of the American Chemical Society, Vol. 96, No. 15, 1974, p. 4795-4800.

Research output: Contribution to journalArticle

TY - JOUR

T1 - A p-xylene clathrate of tris(1,8-naphthalenedioxy)cyclotriphosphazene. X-ray crystal and molecular structure

AU - Allcock, Harry R.

AU - Stein, Martha T.

AU - Bissell, E. C.

PY - 1974

Y1 - 1974

N2 - Tris(1,8-naphthalenedioxy)cyclotriphosphazene (III) forms a clathrate inclusion adduct with p-xylene. An X-ray single-crystal study has shown that the p-xylene molecules are physically trapped in a fixed position within channels that penetrate the lattice. The naphthalenedioxy side groups of the host molecules (III) are bent at the oxygen atoms in such a way that strong host-host interactions stabilize the channel structure. The unit cell is triclinic, with space group P1 and with a = 8.206 (17) Å, b = 14.747 (25) Å, c = 13.318 (23) Å, α = 101.97 (7)°, β = 90.77 (7)°, γ = 109.13 (5)°, and Z = two host molecules and one p-xylene. The structure was solved by symbolic addition methods, and refinement to an R index of 0.058 was accomplished by Fourier and least-squares techniques. The important mean bond angles and distances within the host molecules are P-N = 1.57 Å, P-O = 1.59 Å, N-P-N = 117.9°, P-N-P = 122.1°, N-P-O = 106.7-110.9°, and O-P-O = 102.2°. The phosphazene ring is puckered in a boat conformation.

AB - Tris(1,8-naphthalenedioxy)cyclotriphosphazene (III) forms a clathrate inclusion adduct with p-xylene. An X-ray single-crystal study has shown that the p-xylene molecules are physically trapped in a fixed position within channels that penetrate the lattice. The naphthalenedioxy side groups of the host molecules (III) are bent at the oxygen atoms in such a way that strong host-host interactions stabilize the channel structure. The unit cell is triclinic, with space group P1 and with a = 8.206 (17) Å, b = 14.747 (25) Å, c = 13.318 (23) Å, α = 101.97 (7)°, β = 90.77 (7)°, γ = 109.13 (5)°, and Z = two host molecules and one p-xylene. The structure was solved by symbolic addition methods, and refinement to an R index of 0.058 was accomplished by Fourier and least-squares techniques. The important mean bond angles and distances within the host molecules are P-N = 1.57 Å, P-O = 1.59 Å, N-P-N = 117.9°, P-N-P = 122.1°, N-P-O = 106.7-110.9°, and O-P-O = 102.2°. The phosphazene ring is puckered in a boat conformation.

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