Crystal and molecular structure of 6-phenyl-13H-pyrimido bis-benzothiazolium-12 triiodide

Article abstract of DOI:10.1007/BF01161061

Crystals of the synthesized title compound (C22H15I3N2S2) are monoclinic.Space group P2₁/a, a = 15.072(2), b = 10.936(1), c = 15.363(2) Angstroem, β = 108.49(1) deg.The structure was solved by direct methods and refined by block-matrix least-squares procedure to give R = 0.059 and Rw = 0.043 for 3658 reflections above 2?(I).The central hexaatomic ring is in a very flattened envelope conformation being the ethylene group very little deviated from the plane defined by the other five atoms.The phenyl group is rotated 63.40 deg from that plane.