title: Unexpected "amphoteric" character of the halogen bond: the charge density study of the co-crystal of N-methylpyrazine iodide with I2.
abstract: An unexpected mechanism of halogen bonding that cannot be rationalized within the accepted sigma-hole model was found in the co-crystal of N-methylpyrazine iodide with molecular iodine via the topological analysis of the electron density distribution derived from the high-resolution X-ray diffraction data.
authors.affiliation: A.N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, Vavilov Str., 28, Moscow, 119991, Russia.
authors.forename: Yulia V
authors.initials: YV
authors.lastname: Nelyubina
authors.forename: Mikhail Yu
authors.initials: MY
authors.lastname: Antipin
authors.forename: Dmitriy S
authors.initials: DS
authors.lastname: Dunin
authors.forename: Vitalii Yu
authors.initials: VY
authors.lastname: Kotov
authors.forename: Konstantin A
authors.initials: KA
authors.lastname: Lyssenko