The crystal structures of 1-(4-bromo-2,3,5,6-tetrafluorophenyl)-3-benzyl-methylimidazolium bromides

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dc.contributor.authorAlthagbi, Hanan Ibrahimen_NZ
dc.contributor.authorEvans, Danielle N.en_NZ
dc.contributor.authorSaunders, Graham C.en_NZ
dc.date.accessioned2018-09-04T02:03:51Z
dc.date.available2018-11-05en_NZ
dc.date.available2018-09-04T02:03:51Z
dc.date.issued2018en_NZ
dc.description.abstractThe crystal structures of 1-(4-bromo-2,3,5,6-tetrafluorophenyl)-2-methyl-3-benzylimidazolium bromide (8) and 1-(4-bromo-2,3,5,6-tetrafluorophenyl)-3-benzyl-4-methylimidazolium bromide (9) have been determined by single crystal X-ray diffraction. Both crystal structures possess C(2)─H⋯Br− hydrogen bonding and C─Br⋯Br− halogen bonding. That of 8 also contains π–π stacking between bromotetrafluorophenyl and phenyl rings, and that of 9 also contains C(1)─H⋯Br− hydrogen bonding and anion–π interactions. The crystal structure of 9 is similar to that of the non-methylated salt, 1-(4-bromo-2,3,5,6-tetrafluorophenyl)-3-benzylimidazolium bromide (4), with columns of alternating parallel bromotetrafluorophenyl rings and bromide.
dc.format.mimetypeapplication/pdf
dc.identifier.citationAlthagbi, H. I., Evans, D. N., & Saunders, G. C. (2018). The crystal structures of 1-(4-bromo-2,3,5,6-tetrafluorophenyl)-3-benzyl-methylimidazolium bromides. Journal of Molecular Structure, 1171, 755–761. https://doi.org/10.1016/j.molstruc.2018.06.073en
dc.identifier.doi10.1016/j.molstruc.2018.06.073en_NZ
dc.identifier.eissn1872-8014en_NZ
dc.identifier.issn0022-2860en_NZ
dc.identifier.urihttps://hdl.handle.net/10289/12060
dc.language.isoenen_NZ
dc.publisherElsevieren_NZ
dc.relation.isPartOfJournal of Molecular structureen_NZ
dc.rightsThis is an author’s accepted version of an article published in the journal: Journal of Molecular structure. © 2018 Elsevier.
dc.subjectScience & Technologyen_NZ
dc.subjectPhysical Sciencesen_NZ
dc.subjectChemistry, Physicalen_NZ
dc.subjectChemistryen_NZ
dc.subjectImidazolium salten_NZ
dc.subjectAnion-pi interactionen_NZ
dc.subjectpi-pi stackingen_NZ
dc.subjectHalogen bondingen_NZ
dc.subjectCrystal structureen_NZ
dc.subjectDFT calculationen_NZ
dc.subjectANION-PI INTERACTIONSen_NZ
dc.subjectBONDING INTERACTIONSen_NZ
dc.subjectHYDROGEN-BONDen_NZ
dc.subjectSTACKINGen_NZ
dc.subjectPOLARITYen_NZ
dc.subjectRADIIen_NZ
dc.subjectVANen_NZ
dc.titleThe crystal structures of 1-(4-bromo-2,3,5,6-tetrafluorophenyl)-3-benzyl-methylimidazolium bromidesen_NZ
dc.typeJournal Article
pubs.begin-page755
pubs.elements-id225285
pubs.end-page761
pubs.organisational-group/Waikato
pubs.organisational-group/Waikato/2018 PBRF
pubs.organisational-group/Waikato/FSEN
pubs.organisational-group/Waikato/FSEN/2018 PBRF - FSEN
pubs.organisational-group/Waikato/FSEN/School of Science
pubs.organisational-group/Waikato/FSEN/School of Science/2018 PBRF - School of Science
pubs.publication-statusAccepteden_NZ
pubs.user.infoSaunders, Graham (gsaunder@waikato.ac.nz)
pubs.volume1171en_NZ
uow.verification.statusverified
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