BENZOTHIAZINE-7,7,8,8-TETRACYANO-P-QUINODIMETHANE, IBB-TCNQ

The structure of the title compound, C14H9N3S.C12H4-N-4, is composed o f stacks of alternating TCNQ [2,2'-(2,5-cyclohexadiene- 1,4-diylidene) bispropanedinitrile] and IBB 2H-benzimidazo[2,1-b][1,3]benzothiazine)m olecules. The quinonic ring of the TCNQ molecule packs in a quasi-plan ar boat conformation. The dihedral angle between the mean planes of th e TCNQ and IBB molecules is 9.5 (1)degrees. As expected from the bond lengths of the TCNQ molecule, the estimated charge transfer is about 0 .14 electrons. AU bond lengths and bond angles are normal. The IBB mol ecules are linked by N-H ... N hydrogen bonds.