Halogen bonding in crystals of free 1,2-diiodo-ethene (C2H2I2) and its π-complex [CpMn(CO)2](π-C2H2I2)

Yury V. Torubaev, Ivan V. Skabitsky

Research output: Contribution to journalArticlepeer-review

12 Scopus citations


1,2-trans-diiodo-ethene (C2H2I2) – is an overlooked halogen bond donor, which demonstrate the distinct similarity of the geometry and directionality of I···I halogen bonds around the iodine atoms in its native and CpMn(CO)2(C2H2I2) π-complex crystals. Distortion of the planar geometry of C2H2I2 upon the π-coordination result the distortion of the native planar layered geometry of C2H2I2, so that [CpMn(CO)2](π-C2H2I2) features more complex I···I XB assisted 3D network. Unusual structural parallels between the native C2H2I2 crystals and solid iodine are discussed.

Original languageEnglish
Pages (from-to)599-607
Number of pages9
JournalZeitschrift fur Kristallographie - Crystalline Materials
Issue number12
StatePublished - 1 Dec 2020
Externally publishedYes


  • Halogen bond
  • Intermolecular interactions
  • Metal-olefin
  • Non-covalent interactions
  • Solid iodine
  • π-complex

ASJC Scopus subject areas

  • General Materials Science
  • Condensed Matter Physics
  • Inorganic Chemistry


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