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

Junyi Du; Guoxiong Hua; Petr Beier; Alexandra M. Z. Slawin; J. Derek Woollins

doi:10.1007/s11224-016-0854-2

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

Junyi Du, Guoxiong Hua, Petr Beier, Alexandra M. Z. Slawin, J. Derek Woollins

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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-F_ax bond angles [178.94(14) to 180°] are very close to each other. The angle of two adjacent F_eq is approximate to 90°. The intramolecular and intermolecular interactions such as C_aryl-H···F_eq, C_aryl-H···O/N/F/Cl interactions, and π-stacking interactions play a very important role in their three-dimension packing frameworks.

Original language	English
Pages (from-to)	723-733
Number of pages	11
Journal	Structural Chemistry
Volume	28
Issue number	3
Early online date	4 Oct 2016
DOIs	https://doi.org/10.1007/s11224-016-0854-2
Publication status	Published - Jun 2017

Keywords

Pentafluorosulfuranyl (SF5) group
Aromatic compounds
Single crystal X-ray structure
Intramolecular interactions
Intermolecular interactions

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10.1007/s11224-016-0854-2

Woollins_2016_SC_Single_AAM
© 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
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Cite this

@article{1833af76d54b4ee8990808b85ee9092a,

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

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) {\AA}] 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.",

keywords = "Pentafluorosulfuranyl (SF5) group, Aromatic compounds, Single crystal X-ray structure, Intramolecular interactions, Intermolecular interactions",

author = "Junyi Du and Guoxiong Hua and Petr Beier and Slawin, {Alexandra M. Z.} and Woollins, {J. Derek}",

note = "The authors are grateful to the University of St Andrews for financial support.",

year = "2017",

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doi = "10.1007/s11224-016-0854-2",

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T1 - Single crystal X-ray structural features of aromatic compounds having a pentafluorosulfuranyl (SF5) functional group

AU - Du, Junyi

AU - Hua, Guoxiong

AU - Beier, Petr

AU - Slawin, Alexandra M. Z.

AU - Woollins, J. Derek

N1 - The authors are grateful to the University of St Andrews for financial support.

PY - 2017/6

Y1 - 2017/6

N2 - 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.

AB - 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.

KW - Pentafluorosulfuranyl (SF5) group

KW - Aromatic compounds

KW - Single crystal X-ray structure

KW - Intramolecular interactions

KW - Intermolecular interactions

UR - http://link.springer.com/article/10.1007%2Fs11224-016-0854-2#SupplementaryMaterial

U2 - 10.1007/s11224-016-0854-2

DO - 10.1007/s11224-016-0854-2

M3 - Article

SN - 1040-0400

VL - 28

SP - 723

EP - 733

JO - Structural Chemistry

JF - Structural Chemistry

IS - 3

ER -

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

Abstract

Keywords

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