Crystal and Molecular Structure of 1-Hydrido-1-Isopropyltetrachlorocyclotriphosphazene

Robert J. Ritchie, Paul J. Harris, Harry R. Allcock

Research output: Contribution to journalArticle

19 Citations (Scopus)

Abstract

The first structural determination is described of a cyclic phosphazene, N3P3Cl4(i-Pr)H (VI), which contains both a hydrogen atom and an alkyl group as substituents attached to phosphorus. Compound VI contains a planar phosphazene ring with a curious alternation of P-N bond lengths at progressively greater distances from the P((i-Pr)H unit and with corresponding distortions in the bond angles within the ring. The longest P-N bonds are those connected to the P(i-Pr)H unit. The phosphorus-hydrogen bond length is 1.26 (7) Å, the phosphorus-carbon bond distance is 1.765 (1) Å, and the H-P-C bond angle is 109 (3)°. The structural features of the molecule can be understood in terms of crystal-packing forces and π-bonding hypotheses. Crystals of VI were orthorhombic of the space group P212121 with a = 6.128 (4) Å, b = 11.485 (2) Å, c = 17.467 (3) Å, and Z = 4. The final R1 and R2 factors were 0.043 and 0.045, respectively.

Original languageEnglish (US)
Pages (from-to)2483-2486
Number of pages4
JournalInorganic Chemistry
Volume19
Issue number9
DOIs
StatePublished - Jan 1 1980

Fingerprint

phosphazene
Phosphorus
Molecular structure
phosphorus
molecular structure
Crystal structure
Bond length
crystal structure
Crystals
rings
alternations
crystals
Hydrogen
hydrogen atoms
Hydrogen bonds
Carbon
hydrogen bonds
Atoms
Molecules
carbon

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

Cite this

Ritchie, Robert J. ; Harris, Paul J. ; Allcock, Harry R. / Crystal and Molecular Structure of 1-Hydrido-1-Isopropyltetrachlorocyclotriphosphazene. In: Inorganic Chemistry. 1980 ; Vol. 19, No. 9. pp. 2483-2486.
@article{98e5b0a42da64744b908ae4cdd82d5c6,
title = "Crystal and Molecular Structure of 1-Hydrido-1-Isopropyltetrachlorocyclotriphosphazene",
abstract = "The first structural determination is described of a cyclic phosphazene, N3P3Cl4(i-Pr)H (VI), which contains both a hydrogen atom and an alkyl group as substituents attached to phosphorus. Compound VI contains a planar phosphazene ring with a curious alternation of P-N bond lengths at progressively greater distances from the P((i-Pr)H unit and with corresponding distortions in the bond angles within the ring. The longest P-N bonds are those connected to the P(i-Pr)H unit. The phosphorus-hydrogen bond length is 1.26 (7) {\AA}, the phosphorus-carbon bond distance is 1.765 (1) {\AA}, and the H-P-C bond angle is 109 (3)°. The structural features of the molecule can be understood in terms of crystal-packing forces and π-bonding hypotheses. Crystals of VI were orthorhombic of the space group P212121 with a = 6.128 (4) {\AA}, b = 11.485 (2) {\AA}, c = 17.467 (3) {\AA}, and Z = 4. The final R1 and R2 factors were 0.043 and 0.045, respectively.",
author = "Ritchie, {Robert J.} and Harris, {Paul J.} and Allcock, {Harry R.}",
year = "1980",
month = "1",
day = "1",
doi = "10.1021/ic50211a001",
language = "English (US)",
volume = "19",
pages = "2483--2486",
journal = "Inorganic Chemistry",
issn = "0020-1669",
publisher = "American Chemical Society",
number = "9",

}

Crystal and Molecular Structure of 1-Hydrido-1-Isopropyltetrachlorocyclotriphosphazene. / Ritchie, Robert J.; Harris, Paul J.; Allcock, Harry R.

In: Inorganic Chemistry, Vol. 19, No. 9, 01.01.1980, p. 2483-2486.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Crystal and Molecular Structure of 1-Hydrido-1-Isopropyltetrachlorocyclotriphosphazene

AU - Ritchie, Robert J.

AU - Harris, Paul J.

AU - Allcock, Harry R.

PY - 1980/1/1

Y1 - 1980/1/1

N2 - The first structural determination is described of a cyclic phosphazene, N3P3Cl4(i-Pr)H (VI), which contains both a hydrogen atom and an alkyl group as substituents attached to phosphorus. Compound VI contains a planar phosphazene ring with a curious alternation of P-N bond lengths at progressively greater distances from the P((i-Pr)H unit and with corresponding distortions in the bond angles within the ring. The longest P-N bonds are those connected to the P(i-Pr)H unit. The phosphorus-hydrogen bond length is 1.26 (7) Å, the phosphorus-carbon bond distance is 1.765 (1) Å, and the H-P-C bond angle is 109 (3)°. The structural features of the molecule can be understood in terms of crystal-packing forces and π-bonding hypotheses. Crystals of VI were orthorhombic of the space group P212121 with a = 6.128 (4) Å, b = 11.485 (2) Å, c = 17.467 (3) Å, and Z = 4. The final R1 and R2 factors were 0.043 and 0.045, respectively.

AB - The first structural determination is described of a cyclic phosphazene, N3P3Cl4(i-Pr)H (VI), which contains both a hydrogen atom and an alkyl group as substituents attached to phosphorus. Compound VI contains a planar phosphazene ring with a curious alternation of P-N bond lengths at progressively greater distances from the P((i-Pr)H unit and with corresponding distortions in the bond angles within the ring. The longest P-N bonds are those connected to the P(i-Pr)H unit. The phosphorus-hydrogen bond length is 1.26 (7) Å, the phosphorus-carbon bond distance is 1.765 (1) Å, and the H-P-C bond angle is 109 (3)°. The structural features of the molecule can be understood in terms of crystal-packing forces and π-bonding hypotheses. Crystals of VI were orthorhombic of the space group P212121 with a = 6.128 (4) Å, b = 11.485 (2) Å, c = 17.467 (3) Å, and Z = 4. The final R1 and R2 factors were 0.043 and 0.045, respectively.

UR - http://www.scopus.com/inward/record.url?scp=26344443279&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=26344443279&partnerID=8YFLogxK

U2 - 10.1021/ic50211a001

DO - 10.1021/ic50211a001

M3 - Article

VL - 19

SP - 2483

EP - 2486

JO - Inorganic Chemistry

JF - Inorganic Chemistry

SN - 0020-1669

IS - 9

ER -