Abstract
Crystals of the synthesized title compound (C22H15I3N2) are monoclinic. Space group P21/a,a=15.072(2),b=10.936(1),c=15.363(2) Å,β=108.49(1)°. The structure was solved by direct methods and refined by block-matrix least-squares procedure to giveR=0.059 and Rw=0.043 for 3658 reflections above 2σ(I). The central hexaatomic ring is in a very flattened envelope conformation being the methylene group very little deviated from the plane defined by the other five atoms. The phenyl group is rotated 63.40° from that plane.
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Ramos, T., Avendano, C., Elguero, J. et al. Crystal and molecular structure of 6-phenyl-13H-pyrimido [4,3-b:6,1-b] bis-benzothiazolium-12 triiodide. Journal of Crystallographic and Spectroscopic Research 21, 179–182 (1991). https://doi.org/10.1007/BF01161061
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DOI: https://doi.org/10.1007/BF01161061