Modification of the solid state structures of dithiadiazolyl radicals:: crystal structure of p-iodophenyl-1,2,3,5-dithiadiazolyl

The solid state structure of the 1,2,3,5-dithiadiazolyl p-IC6H4CNSSN (3) is described. The molecules associate in dimer pairs, across an inversion centre, in an unusual trans-cofacial manner. The separation between the heterocyclic rings is 3.121 Angstrom. The intradimer sulfur contacts (3.696 Angstrom) are larger than those observed in dithiadiazolyls that associate in the more usual cis-cofacial manner. Individual p-IC6H4CNSSN molecules are linked into zigzag chains through weak I ... S interactions (3.82 Angstrom); each half of a [p-IC6H4CNSSN](2) dimer is a member of separate chains that run in opposite directions. (C) 2000 Elsevier Science Ltd All rights reserved.