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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
Author(s) -
Knapp Carsten,
Lork Enno,
Gupta Kumar,
Mews Rüdiger
Publication year - 2005
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.200500052
Subject(s) - chemistry , dimer , crystallography , radical , crystal structure , group (periodic table) , x ray crystallography , stereochemistry , diffraction , physics , organic chemistry , optics
Crystals of the 4‐halo‐1,2,3,5‐dithiadiazolyl radicals (X = F, Cl, Br) were obtained by sublimation at 80 °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 P 2 1 / n , whereas the chloro and bromo derivatives crystallize isomorphous as twisted dimers in the space group C 2/ c . The chloro and bromo derivatives show the shortest intradimer S···S contacts of all known 1,2,3,5‐dithiadiazolyl dimers. In addition the obtained structure of ClCN 2 S 2 • represents the fifth polymorph of ClCN 2 S 2 • characterized by X‐ray crystallography. The structures and the packing including secondary interactions are discussed.