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Single crystal X-ray structural features of aromatic compounds having a pentafluorosulfuranyl (SF5) functional group

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Date
06/2017
Author
Du, Junyi
Hua, Guoxiong
Beier, Petr
Slawin, Alexandra M. Z.
Woollins, J. Derek
Keywords
Pentafluorosulfuranyl (SF5) group
Aromatic compounds
Single crystal X-ray structure
Intramolecular interactions
Intermolecular interactions
QD Chemistry
NDAS
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Abstract
Nine pentafluorosulfuranyl (SF5)-containing aromatic compounds have been characterized crystallographically. The SF5 group has an umbrella geometry, and the sulfur atom in the SF5 group is in an approximately octahedral coordination environment. All S-F bond lengths [1.572(3) to 1.618(3) Å] are very similar and the C-S-Fax bond angles [178.94(14) to 180°] are very close to each other. The angle of two adjacent Feq is approximate to 90°. The intramolecular and intermolecular interactions such as Caryl-H···Feq, Caryl-H···O/N/F/Cl interactions, and π-stacking interactions play a very important role in their three-dimension packing frameworks.
Citation
Du , J , Hua , G , Beier , P , Slawin , A M Z & Woollins , J D 2017 , ' Single crystal X-ray structural features of aromatic compounds having a pentafluorosulfuranyl (SF 5 ) functional group ' , Structural Chemistry , vol. 28 , no. 3 , pp. 723-733 . https://doi.org/10.1007/s11224-016-0854-2
Publication
Structural Chemistry
Status
Peer reviewed
DOI
https://doi.org/10.1007/s11224-016-0854-2
ISSN
1040-0400
Type
Journal article
Rights
© Springer Science+Business Media New York 2016. This work is made available online in accordance with the publisher’s policies. This is the author created, accepted version manuscript following peer review and may differ slightly from the final published version. The final published version of this work is available at: https://dx.doi.org/10.1007/s11224-016-0854-2
Description
The authors are grateful to the University of St Andrews for financial support.
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  • University of St Andrews Research
URL
http://link.springer.com/article/10.1007%2Fs11224-016-0854-2#SupplementaryMaterial
URI
http://hdl.handle.net/10023/11803

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