Modification of molecular packing: crystal structures and magnetic properties of monomeric and dimeric difluorophenyl-1,2,3,5-dithiadiazolyl radicals

被引：25

作者：

Banister, AJ

Batsanov, AS

Dawe, OG

Herbertson, PL

Howard, JAK

Lynn, S

May, I

Smith, JNB

Rawson, JM

Rogers, TE

Tanner, BK

Antorrena, G

Palacio, F

机构：

[1] UNIV CAMBRIDGE,DEPT CHEM,CAMBRIDGE CB2 1EW,ENGLAND

[2] UNIV DURHAM,DEPT CHEM,DURHAM DH1 3LE,ENGLAND

[3] GLAXO WELLCOME INC,RES CTR,STEVENAGE SG1 2NY,HERTS,ENGLAND

[4] UNIV DURHAM,DEPT PHYS,DURHAM DH1 3LE,ENGLAND

[5] UNIV ZARAGOZA,CSIC,INST CIENCIA MAT ARAGON,E-50009 ZARAGOZA,SPAIN

来源：

JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS | 1997年 / 15期

关键词：

D O I：

10.1039/a702881d

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Two dithiadiazolyl radicals of formula [F2C6H3CNSSN](.) 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) Angstrom, whereas the 2',5'-isomer is composed of uniform stacks with unexpectedly long intra-stack S ... S contacts [3.544(3) Angstrom].

引用

页码：2539 / 2541

页数：3

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