Weaving a 2D net of hydrogen and halogen bonds: cocrystal of a pyrazolium bromide with tetrafluorodiiodobenzene.

ABSTRACT: Hydrohalides of Lewis bases may act as halogen bond (XB) acceptors and combine two directional interactions, namely, hydrogen bonds (HB) and XBs in the same solid. 3-(1,3,5-Trimethyl-1H-pyrazol-4-yl)acetylacetone (C₁₁H₁₆N₂O₂, HacacMePz) was protonated with HX (X = Cl or Br) to afford the hydrohalides, C₁₁H₁₇N₂O₂⁺·X^- or H₂acacMePz⁺·X^- (1, X = Cl; 2, X = Br). Hydrohalides 1 and 2 are isomorphous and adopt a classical dipole packing. Consistent with the observation for most β-diketones, the enol form with an intramolecular HB is observed. Additional noteworthy interactions are HBs of the protonated pyrazolium towards the X^- anion at donor-ac

SUBMITTER: van Terwingen S 

PROVIDER: S-EPMC9167629 | biostudies-literature | 2022 Jun

REPOSITORIES: biostudies-literature