Rac-[2-(Dicyclohexylphosphanyl)phenyl](phenyl)phosphinic diisopropylamide-borane hemihydrate

Stephen J. Evans; C. Alicia Renison; D. Bradley G. Williams; Alfred Muller

doi:10.1107/S1600536813001839

Rac-[2-(Dicyclohexylphosphanyl)phenyl](phenyl)phosphinic diisopropylamide-borane hemihydrate

Stephen J. Evans, C. Alicia Renison, D. Bradley G. Williams, Alfred Muller

Chemical Sciences

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

Abstract

In the title compound, C₃₀H48BNOP2·0.5H₂O, the water molecule is disordered about an inversion centre. Both phosphorus atoms shows distortions in their tetrahedral environments with the cyclohexyl substituents disordered over two orientations in a 0.851 (3):0.149 (3) occupancy ratio. The crystal structure is assembled via O - H⋯O interactions between pairs of phosphininc amide molecules and water molecules, creating hydrogen-bonded dimers with graph-set R 2 ⁴(8) along [001]. Weak C - H⋯O interactions are also observed.

Original language	English
Pages (from-to)	o282-o283
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	69
Issue number	2
DOIs	https://doi.org/10.1107/S1600536813001839
Publication status	Published - Feb 2013

Keywords

R factor = 0.050
T = 100 K
data-to-parameter ratio = 16.7
disorder in main residue
mean σ(C-C) = 0.003 Å
single-crystal X-ray study
wR factor = 0.134

ASJC Scopus subject areas

General Chemistry
General Materials Science
Condensed Matter Physics

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title = "Rac-[2-(Dicyclohexylphosphanyl)phenyl](phenyl)phosphinic diisopropylamide-borane hemihydrate",

abstract = "In the title compound, C30H48BNOP2·0.5H2O, the water molecule is disordered about an inversion centre. Both phosphorus atoms shows distortions in their tetrahedral environments with the cyclohexyl substituents disordered over two orientations in a 0.851 (3):0.149 (3) occupancy ratio. The crystal structure is assembled via O - H⋯O interactions between pairs of phosphininc amide molecules and water molecules, creating hydrogen-bonded dimers with graph-set R 2 4(8) along [001]. Weak C - H⋯O interactions are also observed.",

keywords = "R factor = 0.050, T = 100 K, data-to-parameter ratio = 16.7, disorder in main residue, mean σ(C-C) = 0.003 {\AA}, single-crystal X-ray study, wR factor = 0.134",

author = "Evans, {Stephen J.} and Renison, {C. Alicia} and Williams, {D. Bradley G.} and Alfred Muller",

year = "2013",

month = feb,

doi = "10.1107/S1600536813001839",

language = "English",

volume = "69",

pages = "o282--o283",

journal = "Acta Crystallographica Section E: Structure Reports Online",

issn = "1600-5368",

number = "2",

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TY - JOUR

T1 - Rac-[2-(Dicyclohexylphosphanyl)phenyl](phenyl)phosphinic diisopropylamide-borane hemihydrate

AU - Evans, Stephen J.

AU - Renison, C. Alicia

AU - Williams, D. Bradley G.

AU - Muller, Alfred

PY - 2013/2

Y1 - 2013/2

N2 - In the title compound, C30H48BNOP2·0.5H2O, the water molecule is disordered about an inversion centre. Both phosphorus atoms shows distortions in their tetrahedral environments with the cyclohexyl substituents disordered over two orientations in a 0.851 (3):0.149 (3) occupancy ratio. The crystal structure is assembled via O - H⋯O interactions between pairs of phosphininc amide molecules and water molecules, creating hydrogen-bonded dimers with graph-set R 2 4(8) along [001]. Weak C - H⋯O interactions are also observed.

AB - In the title compound, C30H48BNOP2·0.5H2O, the water molecule is disordered about an inversion centre. Both phosphorus atoms shows distortions in their tetrahedral environments with the cyclohexyl substituents disordered over two orientations in a 0.851 (3):0.149 (3) occupancy ratio. The crystal structure is assembled via O - H⋯O interactions between pairs of phosphininc amide molecules and water molecules, creating hydrogen-bonded dimers with graph-set R 2 4(8) along [001]. Weak C - H⋯O interactions are also observed.

KW - R factor = 0.050

KW - T = 100 K

KW - data-to-parameter ratio = 16.7

KW - disorder in main residue

KW - mean σ(C-C) = 0.003 Å

KW - single-crystal X-ray study

KW - wR factor = 0.134

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U2 - 10.1107/S1600536813001839

DO - 10.1107/S1600536813001839

M3 - Article

AN - SCOPUS:84873378884

SN - 1600-5368

VL - 69

SP - o282-o283

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 2

ER -

Rac-[2-(Dicyclohexylphosphanyl)phenyl](phenyl)phosphinic diisopropylamide-borane hemihydrate

Abstract

Keywords

ASJC Scopus subject areas

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