2,4-Bis{[6-(2,2-dimethylpropyl)-3-ethyl-1,3-benzothiazol-2(3H)-yl-idene]methyl}cyclobutenediylium-1,3-diolate

Citation
U. Lawrentz et al., 2,4-Bis{[6-(2,2-dimethylpropyl)-3-ethyl-1,3-benzothiazol-2(3H)-yl-idene]methyl}cyclobutenediylium-1,3-diolate, ACT CRYST C, 57, 2001, pp. 126-128
Citations number
19
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS
ISSN journal
01082701 → ACNP
Volume
57
Year of publication
2001
Part
1
Pages
126 - 128
Database
ISI
SICI code
0108-2701(200101)57:<126:2>2.0.ZU;2-Z
Abstract
The title compound, C34H40N2O2S2, adopts a trans conformation. The four con jugated Csp(2)-Csp(2) single and double bonds of the polymethinic moiety, w hich bridges both heterocyclic end groups and the central four-membered rin g, display nearly equal bond lengths. The molecule is nearly planar, with i nterplanar angles between the benzothiazole end groups and the central four -membered ring of 6.9 (1) and 7.7 (1)degrees; the angle between the heteroc yclic systems is 1.8 (1)degrees. The crystal packing involves pi -stacking effects, with intermolecular C . . .C distances varying from 3.755 (3) to 3 .991 (3) Angstrom.