Phosphonitrilic Compounds. IX.1 the Crystal and Molecular Structure of Tris(2,2'-dioxybiphenyl)cyclotriphosphazene

Harry R. Allcock, Martha T. Stein, J. A. Stanko

Research output: Contribution to journalArticle

43 Citations (Scopus)

Abstract

The crystal structure of tris(2,2'-dioxybiphenyl)cyclotriphosphazene (II) has been determined by three-dimensional Patterson, Fourier, and difference syntheses, and refinement to an R index of 0.068 was accomplished by difference-Fourier and least-squares techniques. o The crystals are monoclinic with the space group C2/c, and with a = 15.377 (2), b = 10.810 (1), c = 20.152 (7) Å, β = 108.88 (0.02)°, Z = 4. The cyclotriphosphazene ring has a slight boat conformation. Two of the biphenyldioxyphosphole units are twisted propellor-like at 43° in one direction while the third is twisted at 52° in the opposite direction. The P-N bond distances are 1.568 (7), 1.582 (6), and 1.566 (4) Å the N-P-N angles are 118.6 (0.3) and 118.3 (0.2)°; the P-N-P angles are 120.8 (0.3) and 121.2 (0.2)°; and the O-P-O angles are 103.0 (0.2) and 102.4 (0.3)°. The asymmetry of twist of the side group units is discussed and reasons are suggested for the failure of this compound to polymerize or form molecular inclusion adducts.

Original languageEnglish (US)
Pages (from-to)3173-3178
Number of pages6
JournalJournal of the American Chemical Society
Volume93
Issue number13
DOIs
StatePublished - Jun 1 1971

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Boats
Molecular Structure
Molecular structure
Conformations
Crystal structure
Crystals
Ships
Least-Squares Analysis
Direction compound

All Science Journal Classification (ASJC) codes

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

Cite this

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title = "Phosphonitrilic Compounds. IX.1 the Crystal and Molecular Structure of Tris(2,2'-dioxybiphenyl)cyclotriphosphazene",
abstract = "The crystal structure of tris(2,2'-dioxybiphenyl)cyclotriphosphazene (II) has been determined by three-dimensional Patterson, Fourier, and difference syntheses, and refinement to an R index of 0.068 was accomplished by difference-Fourier and least-squares techniques. o The crystals are monoclinic with the space group C2/c, and with a = 15.377 (2), b = 10.810 (1), c = 20.152 (7) {\AA}, β = 108.88 (0.02)°, Z = 4. The cyclotriphosphazene ring has a slight boat conformation. Two of the biphenyldioxyphosphole units are twisted propellor-like at 43° in one direction while the third is twisted at 52° in the opposite direction. The P-N bond distances are 1.568 (7), 1.582 (6), and 1.566 (4) {\AA} the N-P-N angles are 118.6 (0.3) and 118.3 (0.2)°; the P-N-P angles are 120.8 (0.3) and 121.2 (0.2)°; and the O-P-O angles are 103.0 (0.2) and 102.4 (0.3)°. The asymmetry of twist of the side group units is discussed and reasons are suggested for the failure of this compound to polymerize or form molecular inclusion adducts.",
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Phosphonitrilic Compounds. IX.1 the Crystal and Molecular Structure of Tris(2,2'-dioxybiphenyl)cyclotriphosphazene. / Allcock, Harry R.; Stein, Martha T.; Stanko, J. A.

In: Journal of the American Chemical Society, Vol. 93, No. 13, 01.06.1971, p. 3173-3178.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Phosphonitrilic Compounds. IX.1 the Crystal and Molecular Structure of Tris(2,2'-dioxybiphenyl)cyclotriphosphazene

AU - Allcock, Harry R.

AU - Stein, Martha T.

AU - Stanko, J. A.

PY - 1971/6/1

Y1 - 1971/6/1

N2 - The crystal structure of tris(2,2'-dioxybiphenyl)cyclotriphosphazene (II) has been determined by three-dimensional Patterson, Fourier, and difference syntheses, and refinement to an R index of 0.068 was accomplished by difference-Fourier and least-squares techniques. o The crystals are monoclinic with the space group C2/c, and with a = 15.377 (2), b = 10.810 (1), c = 20.152 (7) Å, β = 108.88 (0.02)°, Z = 4. The cyclotriphosphazene ring has a slight boat conformation. Two of the biphenyldioxyphosphole units are twisted propellor-like at 43° in one direction while the third is twisted at 52° in the opposite direction. The P-N bond distances are 1.568 (7), 1.582 (6), and 1.566 (4) Å the N-P-N angles are 118.6 (0.3) and 118.3 (0.2)°; the P-N-P angles are 120.8 (0.3) and 121.2 (0.2)°; and the O-P-O angles are 103.0 (0.2) and 102.4 (0.3)°. The asymmetry of twist of the side group units is discussed and reasons are suggested for the failure of this compound to polymerize or form molecular inclusion adducts.

AB - The crystal structure of tris(2,2'-dioxybiphenyl)cyclotriphosphazene (II) has been determined by three-dimensional Patterson, Fourier, and difference syntheses, and refinement to an R index of 0.068 was accomplished by difference-Fourier and least-squares techniques. o The crystals are monoclinic with the space group C2/c, and with a = 15.377 (2), b = 10.810 (1), c = 20.152 (7) Å, β = 108.88 (0.02)°, Z = 4. The cyclotriphosphazene ring has a slight boat conformation. Two of the biphenyldioxyphosphole units are twisted propellor-like at 43° in one direction while the third is twisted at 52° in the opposite direction. The P-N bond distances are 1.568 (7), 1.582 (6), and 1.566 (4) Å the N-P-N angles are 118.6 (0.3) and 118.3 (0.2)°; the P-N-P angles are 120.8 (0.3) and 121.2 (0.2)°; and the O-P-O angles are 103.0 (0.2) and 102.4 (0.3)°. The asymmetry of twist of the side group units is discussed and reasons are suggested for the failure of this compound to polymerize or form molecular inclusion adducts.

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