[4-(Bromomethyl)benzyl]triphenylphosphonium bromide acetonitrile monosolvate

Benjamin P. Burke; Peter Greenman; Adam M. Smith; Stephen J. Archibald

doi:10.1107/S1600536812042341

[4-(Bromomethyl)benzyl]triphenylphosphonium bromide acetonitrile monosolvate

Benjamin P. Burke, Peter Greenman, Adam M. Smith, Stephen J. Archibald^*

^*Corresponding author for this work

Imaging Chemistry & Biology

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

2 Citations (Scopus)

Abstract

In the title compound, C₂₆H₂3BrP⁺· Br^-·C₂H₃N, the dihedral angles between the plane of the benzylic phenyl ring attached to the P atom and the planes of the three directly attached phenyl rings are 34.04(12), 45.48(13) and 87.18(9)°. In the crystal, centrosymmetric pairs of cations and anions are linked into dimeric aggregates via C-H⋯Br hydrogen bonds. There is also a C-H⋯N hydrogen bond to the acetonitrile solvent molecule.

Original language	English
Pages (from-to)	o3202
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	68
Issue number	11
DOIs	https://doi.org/10.1107/S1600536812042341
Publication status	Published - Nov 2012

Keywords

data-to-parameter ratio = 15.4
mean ̄(C-C) = 0.005 Å
R factor = 0.029
single-crystal X-ray study
T = 150 K
wR factor = 0.051

Access to Document

10.1107/S1600536812042341

Cite this

@article{5faf67efcaa649bf8aded0c6b6dd760e,

title = "[4-(Bromomethyl)benzyl]triphenylphosphonium bromide acetonitrile monosolvate",

abstract = "In the title compound, C26H23BrP+· Br-·C2H3N, the dihedral angles between the plane of the benzylic phenyl ring attached to the P atom and the planes of the three directly attached phenyl rings are 34.04(12), 45.48(13) and 87.18(9)°. In the crystal, centrosymmetric pairs of cations and anions are linked into dimeric aggregates via C-H⋯Br hydrogen bonds. There is also a C-H⋯N hydrogen bond to the acetonitrile solvent molecule.",

keywords = "data-to-parameter ratio = 15.4, mean{\= }(C-C) = 0.005 {\AA}, R factor = 0.029, single-crystal X-ray study, T = 150 K, wR factor = 0.051",

author = "Burke, {Benjamin P.} and Peter Greenman and Smith, {Adam M.} and Archibald, {Stephen J.}",

year = "2012",

month = nov,

doi = "10.1107/S1600536812042341",

language = "English",

volume = "68",

pages = "o3202",

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

issn = "1600-5368",

publisher = "International Union of Crystallography",

number = "11",

}

TY - JOUR

T1 - [4-(Bromomethyl)benzyl]triphenylphosphonium bromide acetonitrile monosolvate

AU - Burke, Benjamin P.

AU - Greenman, Peter

AU - Smith, Adam M.

AU - Archibald, Stephen J.

PY - 2012/11

Y1 - 2012/11

N2 - In the title compound, C26H23BrP+· Br-·C2H3N, the dihedral angles between the plane of the benzylic phenyl ring attached to the P atom and the planes of the three directly attached phenyl rings are 34.04(12), 45.48(13) and 87.18(9)°. In the crystal, centrosymmetric pairs of cations and anions are linked into dimeric aggregates via C-H⋯Br hydrogen bonds. There is also a C-H⋯N hydrogen bond to the acetonitrile solvent molecule.

AB - In the title compound, C26H23BrP+· Br-·C2H3N, the dihedral angles between the plane of the benzylic phenyl ring attached to the P atom and the planes of the three directly attached phenyl rings are 34.04(12), 45.48(13) and 87.18(9)°. In the crystal, centrosymmetric pairs of cations and anions are linked into dimeric aggregates via C-H⋯Br hydrogen bonds. There is also a C-H⋯N hydrogen bond to the acetonitrile solvent molecule.

KW - data-to-parameter ratio = 15.4

KW - mean ̄(C-C) = 0.005 Å

KW - R factor = 0.029

KW - single-crystal X-ray study

KW - T = 150 K

KW - wR factor = 0.051

UR - http://www.scopus.com/inward/record.url?scp=84870861677&partnerID=8YFLogxK

U2 - 10.1107/S1600536812042341

DO - 10.1107/S1600536812042341

M3 - Article

AN - SCOPUS:84870861677

SN - 1600-5368

VL - 68

SP - o3202

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 11

ER -

[4-(Bromomethyl)benzyl]triphenylphosphonium bromide acetonitrile monosolvate

Abstract

Keywords

Access to Document

Other files and links

Fingerprint

Cite this