Crystals (Apr 2021)

1,12-Diiodo-<i>Ortho</i>-Carborane: A Classic Textbook Example of the Dihalogen Bond

  • Kyrill Yu. Suponitsky,
  • Alexei A. Anisimov,
  • Sergey A. Anufriev,
  • Igor B. Sivaev,
  • Vladimir I. Bregadze

DOI
https://doi.org/10.3390/cryst11040396
Journal volume & issue
Vol. 11, no. 4
p. 396

Abstract

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The crystal structure of 1,12-diiodo-ortho-carborane 1,12-I2-1,2-C2B10H10 was determined by single crystal X-ray diffraction. In contrary to earlier studied 1,12-dibromo analogue 1,12-Br2-1,2- C2B10H10, its crystal packing is governed by the presence of the intermolecular I⋯I dihalogen bonds between the iodine atom attached to the carbon atom (acceptor) and the iodine atom attached to the antipodal boron atom (donor) of the carborane cage. The observed dihalogen bonds belong to the II type and are characterized by classical parameters: shortened I⋯I distance of 3.5687(9) Å, C–I⋯I angle of 172.61(11)° and B–I⋯I angle of 92.98(12)°.

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