Structure investigations on 4-halo-1,2,3,5-dithiadiazolyl radicals XCNSSN• (X = F, Cl, Br):: The shortest intradimer S•••S distance in dithiadiazolyl dimers

被引:19
作者
Knapp, C [1 ]
Lork, E [1 ]
Gupta, K [1 ]
Mews, R [1 ]
机构
[1] Univ Bremen, Inst Anorgan & Phys Chem, D-28334 Bremen, Germany
来源
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE | 2005年 / 631卷 / 09期
关键词
1,2,3,5-dithiadiazoles; radicals; crystal structures; sulfur-nitrogen; polymorphism;
D O I
10.1002/zaac.200500052
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
Crystals of the 4-halo-1,2,3,5-dithiadiazolyl radicals (X = F, Cl, Br) were obtained by sublimation at 80 degrees C and 10(-2) Torr, and the structures were determined by X-ray diffraction. The fluoro derivative crystallizes as a cisoid dimer in the space group P2(1)/n, whereas the chloro and bromo derivatives crystallize isomorphous as twisted dimers in the space group C2/c. The chloro and bromo derivatives show the shortest intradimer S center dot center dot center dot S contacts of all known 1,2,3,5-dithiadiazolyl dimers. In addition the obtained structure of CICN(2)S(2)center dot represents the fifth polymorph of ClCN(2)S(2)center dot characterized by X-ray crystallography. The structures and the packing including secondary interactions are discussed.
引用
收藏
页码:1640 / 1644
页数:5
相关论文
共 32 条
[1]   The neutral diradical 5,5′-bis(1,3,2,4-dithiadiazolyl) [SNSNC-CNSNS], the first main group radical to exhibit a dramatic increase in paramagnetism on mechanical grinding [J].
Antorrena, G ;
Brownridge, S ;
Cameron, TS ;
Palacio, F ;
Parsons, S ;
Passmore, J ;
Thompson, LK ;
Zarlaida, F .
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 2002, 80 (11) :1568-1583
[2]   A novel paramagnetic dithiadiazolyl radical:: Crystal structure and magnetic properties of p-BrC6F4CNSSN• [J].
Antorrena, G ;
Davies, JE ;
Hartley, M ;
Palacio, F ;
Rawson, JM ;
Smith, JNB ;
Steiner, A .
CHEMICAL COMMUNICATIONS, 1999, (15) :1393-1394
[3]  
Banister A. J., 1996, ANGEW CHEM, V108, P2648
[4]  
BANISTER AJ, 1992, STUD INORG CHEM, V14, P323
[5]   THE FIRST SOLID-STATE PARAMAGNETIC 1,2,3,5-DITHIADIAZOLYL RADICAL - X-RAY CRYSTAL-STRUCTURE OF [P-NCC6F4CNSSN]CENTER-DOT [J].
BANISTER, AJ ;
BRICKLEBANK, N ;
CLEGG, W ;
ELSEGOOD, MRJ ;
GREGORY, CI ;
LAVENDER, I ;
RAWSON, JM ;
TANNER, BK .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1995, (06) :679-680
[6]   Spontaneous magnetization in a sulfur-nitrogen radical at 36 K [J].
Banister, AJ ;
Bricklebank, N ;
Lavender, I ;
Rawson, JM ;
Gregory, CI ;
Tanner, BK ;
Clegg, W ;
Elsegood, MRJ ;
Palacio, F .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1996, 35 (21) :2533-2535
[7]   Dithiadiazolyls as heterocyclic chelators: a radical approach to coordination chemistry? [J].
Banister, AJ ;
May, I ;
Rawson, JM ;
Smith, JNB .
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1998, 550 (1-2) :241-253
[8]   DIRECT INSERTION OF A NITROGEN ATOM INTO THE S-S BOND OF A 1,2,3,5-DITHIADIAZOLE RING IN A DIRECT-CURRENT NITROGEN GLOW-DISCHARGE, AND X-RAY CRYSTAL-STRUCTURE OF 4-METHYL-1,2,3,5-DITHIADIAZOLE [J].
BANISTER, AJ ;
HANSFORD, MI ;
HAUPTMAN, ZV ;
WAIT, ST ;
CLEGG, W .
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1989, (09) :1705-1713
[9]   Electrochemistry of redox-active Group 15/16 heterocycles [J].
Boeré, RT ;
Roemmele, TL .
COORDINATION CHEMISTRY REVIEWS, 2000, 210 :369-445
[10]   PREPARATION AND INTERCONVERSION OF DITHIATRIAZINE DERIVATIVES - CRYSTAL, MOLECULAR, AND ELECTRONIC-STRUCTURE OF BIS(5-PHENYL-1,3,2,4,6-DITHIATRIAZINE) (PHCN3S2)2 [J].
BOERE, RT ;
FRENCH, CL ;
OAKLEY, RT ;
CORDES, AW ;
PRIVETT, JAJ ;
CRAIG, SL ;
GRAHAM, JB .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (25) :7710-7717