Halogen bonding in crystals of free 1,2-diiodo-ethene (C<sub>2</sub>H<sub>2</sub>I<sub>2</sub>) and its <i>π</i>-complex [CpMn(CO)<sub>2</sub>](<i>π</i>-C<sub>2</sub>H<sub>2</sub>I<sub>2</sub>)
Yury V. Torubaev, Ivan V. Skabitsky
Abstract
Abstract 1,2-trans-diiodo-ethene (C 2 H 2 I 2 ) – 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 (C 2 H 2 I 2 ) π -complex crystals. Distortion of the planar geometry of C 2 H 2 I 2 upon the π -coordination result the distortion of the native planar layered geometry of C 2 H 2 I 2 , so that [CpMn(CO) 2 ]( π -C 2 H 2 I 2 ) features more complex I···I XB assisted 3D network. Unusual structural parallels between the native C 2 H 2 I 2 crystals and solid iodine are discussed.
Topics & Concepts
HalogenCrystallographyDistortion (music)PlanarMaterials scienceIodineHalogen bondBond lengthMolecular geometryChemistryMoleculeCrystal structureOptoelectronicsComputer scienceCMOSComputer graphics (images)Organic chemistryMetallurgyAlkylAmplifierCrystallography and molecular interactionsInorganic Fluorides and Related CompoundsSolid-state spectroscopy and crystallography