Halogen-bonded adduct of 1,2-dibromo-1,1,2,2-tetrafluoroethane and 1,4-diazabicyclo[2.2.2] octane

Alan Brisdon; Abeer Muneer; Robin Pritchard

doi:10.1107/s2053229615016472

Halogen-bonded adduct of 1,2-dibromo-1,1,2,2-tetrafluoroethane and 1,4-diazabicyclo[2.2.2] octane

Alan Brisdon, Abeer Muneer, Robin Pritchard

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Abstract

Halogen bonding is an intermolecular interaction capable of being used to direct extended structures. Typical halogen-bonding systems involve a noncovalent interaction between a Lewis base, such as an amine, as an acceptor and a halogen atom of a halofluorocarbon as a donor. Vapour-phase diffusion of 1,4-diazabicyclo[2.2.2]octane (DABCO) with 1,2-dibromotetrafluoroethane results in crystals of the 1:1 adduct, C2Br2F4·C6H12N2, which crystallizes as an infinite one-dimensional polymeric structure linked by intermolecular N⋯Br halogen bonds [2.829 (3) Å], which are 0.57 Å shorter than the sum of the van der Waals radii.

Original language	English
Pages (from-to)	900-902
Number of pages	2
Journal	Acta Crystallographica Section C-Structural Chemistry
Volume	71
Issue number	10
Early online date	18 Sept 2015
DOIs	https://doi.org/10.1107/s2053229615016472
Publication status	Published - Oct 2015

Keywords

halogen bonding
crystal structure
1,4-diazabicyclo[2.2.2]octane
dibromotetrafluoroethane
one-dimensional polymeric structure
bromofluorocarbon trapping.

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10.1107/s2053229615016472

) Halogen-bonded ad...azabicyclo[2.2.2]octane)Final published version, 1.94 MB

CCDC 1422107: Experimental Crystal Structure Determination
Brisdon, A. (Contributor), Muneer, A. (Contributor) & Pritchard, R. (Contributor), Cambridge Crystallographic Data Centre, 1 Jan 2015
DOI: 10.5517/cc1jqtfh, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/cc1jqtfh&sid=DataCite
Dataset

Cite this

@article{3d5f4d137e894462b0d5fc55f7d8f36a,

title = "Halogen-bonded adduct of 1,2-dibromo-1,1,2,2-tetrafluoroethane and 1,4-diazabicyclo[2.2.2] octane",

abstract = "Halogen bonding is an intermolecular interaction capable of being used to direct extended structures. Typical halogen-bonding systems involve a noncovalent interaction between a Lewis base, such as an amine, as an acceptor and a halogen atom of a halofluorocarbon as a donor. Vapour-phase diffusion of 1,4-diazabicyclo[2.2.2]octane (DABCO) with 1,2-dibromotetrafluoroethane results in crystals of the 1:1 adduct, C2Br2F4·C6H12N2, which crystallizes as an infinite one-dimensional polymeric structure linked by intermolecular N⋯Br halogen bonds [2.829 (3) {\AA}], which are 0.57 {\AA} shorter than the sum of the van der Waals radii.",

keywords = "halogen bonding, crystal structure, 1,4-diazabicyclo[2.2.2]octane, dibromotetrafluoroethane, one-dimensional polymeric structure, bromofluorocarbon trapping.",

author = "Alan Brisdon and Abeer Muneer and Robin Pritchard",

note = "We thank the Libyan Government for support of AM. We acknowledge the EPSRC for support of the departmental X-ray diffraction facilities (grant No. EP/K039547/1).",

year = "2015",

month = oct,

doi = "10.1107/s2053229615016472",

language = "English",

volume = "71",

pages = "900--902",

journal = "Acta Crystallographica Section C-Structural Chemistry",

issn = "2053-2296",

publisher = "John Wiley & Sons Ltd",

number = "10",

}

TY - JOUR

T1 - Halogen-bonded adduct of 1,2-dibromo-1,1,2,2-tetrafluoroethane and 1,4-diazabicyclo[2.2.2] octane

AU - Brisdon, Alan

AU - Muneer, Abeer

AU - Pritchard, Robin

N1 - We thank the Libyan Government for support of AM. We acknowledge the EPSRC for support of the departmental X-ray diffraction facilities (grant No. EP/K039547/1).

PY - 2015/10

Y1 - 2015/10

N2 - Halogen bonding is an intermolecular interaction capable of being used to direct extended structures. Typical halogen-bonding systems involve a noncovalent interaction between a Lewis base, such as an amine, as an acceptor and a halogen atom of a halofluorocarbon as a donor. Vapour-phase diffusion of 1,4-diazabicyclo[2.2.2]octane (DABCO) with 1,2-dibromotetrafluoroethane results in crystals of the 1:1 adduct, C2Br2F4·C6H12N2, which crystallizes as an infinite one-dimensional polymeric structure linked by intermolecular N⋯Br halogen bonds [2.829 (3) Å], which are 0.57 Å shorter than the sum of the van der Waals radii.

AB - Halogen bonding is an intermolecular interaction capable of being used to direct extended structures. Typical halogen-bonding systems involve a noncovalent interaction between a Lewis base, such as an amine, as an acceptor and a halogen atom of a halofluorocarbon as a donor. Vapour-phase diffusion of 1,4-diazabicyclo[2.2.2]octane (DABCO) with 1,2-dibromotetrafluoroethane results in crystals of the 1:1 adduct, C2Br2F4·C6H12N2, which crystallizes as an infinite one-dimensional polymeric structure linked by intermolecular N⋯Br halogen bonds [2.829 (3) Å], which are 0.57 Å shorter than the sum of the van der Waals radii.

KW - halogen bonding

KW - crystal structure

KW - 1,4-diazabicyclo[2.2.2]octane

KW - dibromotetrafluoroethane

KW - one-dimensional polymeric structure

KW - bromofluorocarbon trapping.

U2 - 10.1107/s2053229615016472

DO - 10.1107/s2053229615016472

M3 - Article

SN - 2053-2296

VL - 71

SP - 900

EP - 902

JO - Acta Crystallographica Section C-Structural Chemistry

JF - Acta Crystallographica Section C-Structural Chemistry

IS - 10

ER -

Halogen-bonded adduct of 1,2-dibromo-1,1,2,2-tetrafluoroethane and 1,4-diazabicyclo[2.2.2] octane

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CCDC 1422107: Experimental Crystal Structure Determination

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