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

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

doi:10.1021/ic50211a001

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

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

Research output: Contribution to journal › Article › peer-review

19 Scopus citations

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 language	English (US)
Pages (from-to)	2483-2486
Number of pages	4
Journal	Inorganic chemistry
Volume	19
Issue number	9
DOIs	https://doi.org/10.1021/ic50211a001
State	Published - 1980

All Science Journal Classification (ASJC) codes

Physical and Theoretical Chemistry
Inorganic Chemistry

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10.1021/ic50211a001

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@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",

doi = "10.1021/ic50211a001",

language = "English (US)",

volume = "19",

pages = "2483--2486",

journal = "Inorganic chemistry",

issn = "0020-1669",

publisher = "American Chemical Society",

number = "9",

}

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

Y1 - 1980

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 - https://www.scopus.com/pages/publications/26344443279

UR - https://www.scopus.com/pages/publications/26344443279#tab=citedBy

U2 - 10.1021/ic50211a001

DO - 10.1021/ic50211a001

M3 - Article

AN - SCOPUS:26344443279

SN - 0020-1669

VL - 19

SP - 2483

EP - 2486

JO - Inorganic chemistry

JF - Inorganic chemistry

IS - 9

ER -

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

Abstract

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