Modification of molecular packing: crystal structures and magnetic properties of monomeric and dimeric difluorophenyl-1,2,3,5-dithiadiazolyl radicals
Abstract
Two dithiadiazolyl radicals of formula
[F
2
C
6
H
3
![[upper bond 1 start]](https://www.rsc.org/images/entities/char_e010.gif)
CNSSN![[upper bond 1 end]](https://www.rsc.org/images/entities/char_e011.gif)
]
˙ were prepared and characterised by X-ray
crystallography; in the solid state the 2′,3′-difluoro
isomer forms discrete twisted dimers through a spin-paired singly
occupied–singly occupied molecular orbital interaction with an
intra-dimer
S · · ·
S distance of 3.020(4) Å, whereas the
2′,5′-isomer is composed of uniform stacks with unexpectedly
long intra-stack
S · · ·
S contacts [3.544(3) Å].
CNSSN]
˙ were prepared and characterised by X-ray
crystallography; in the solid state the 2′,3′-difluoro
isomer forms discrete twisted dimers through a spin-paired singly
occupied–singly occupied molecular orbital interaction with an
intra-dimer
S · · ·
S distance of 3.020(4) Å, whereas the
2′,5′-isomer is composed of uniform stacks with unexpectedly
long intra-stack
S · · ·
S contacts [3.544(3) Å].
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