-TETRAAZACYCLOPENT[CD]AZULENE-1[2H],4[3H]-DISELONE

Citation
Dg. Billing et al., -TETRAAZACYCLOPENT[CD]AZULENE-1[2H],4[3H]-DISELONE, Acta crystallographica. Section C, Crystal structure communications, 52, 1996, pp. 970-973
Citations number
10
Categorie Soggetti
Crystallography
ISSN journal
01082701
Volume
52
Year of publication
1996
Part
4
Pages
970 - 973
Database
ISI
SICI code
0108-2701(1996)52:<970:->2.0.ZU;2-S
Abstract
The title compound, C19H18N4SSe2, crystallizes in the P (1) over bar s pace group with two molecules in the asymmetric unit. In both molecule s, the chemically equivalent halves are identical within experimental error, except for conformational differences which arise from intermol ecular interactions between the flexible seven-membered rings and surr ounding Se atoms. The central triheterapentalene system is almost plan ar, with individual ring conformations consistent with three regions o f conjugation separated by single bonds. The N-S bond lengths, stretch ed beyond the standard for a single bond, imply a three-centre interac tion.