Structure 4309912

4309903 << 4309912 >> 4309913
Original COD entry Download CIF Download DOT

Citation: Ghada J. Corban; Sotiris K. Hadjikakou; Nick Hadjiliadis; Maciej Kubicki; Edward R. T. Tiekink; Ian S. Butler; Evangelos Drougas; Agnie M. Kosmas (2005). Synthesis, Structural Characterization, and Computational Studies of Novel Diiodine Adducts with the Heterocyclic Thioamides N-Methylbenzothiazole-2-thione and Benzimidazole-2-thione: Implications with the Mechanism of Action of Antithyroid Drugs. Inorganic Chemistry, 44, pp. 8617-8627.

Formula: C42 H36 I12 N12 S6

Chemical name: [(benzimidazole-2-thione-di-iodine) (bis(benzimidazole-2-thio)iodonium)](triiodide)

Cell parameters:

  • a = 35.896(4) Å
  • b = 4.7238(6) Å
  • c = 18.795(2) Å
  • α = 90.00°
  • β = 97.325(11)°
  • γ = 90.00°

List type: interleaving

List: 1D

Combined 3D structure and graph

span 1 {1 1 1}
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Linear Graph Knot

Molecules

CIF datablock 10, entity 11 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: I3 (I)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 11, entity 12 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: I3 (I)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 12, entity 13 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: I3 (I)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 13, entity 14 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: I3 (I)

Multiplicity: 1

span 1 {1 1 1}