Aqua-tri-fluorido-boron-1,3-dioxolan-2-one (1/2)

Kristian Radan; Juan Forero-Saboya; Alexandre Ponrouch; Matic Lozinšek

doi:10.1107/S2414314623000627

Aqua-tri-fluorido-boron-1,3-dioxolan-2-one (1/2)

IUCrdata. 2023 Jan 26;8(Pt 1):x230062. doi: 10.1107/S2414314623000627. eCollection 2023 Jan.

Authors

Kristian Radan¹, Juan Forero-Saboya², Alexandre Ponrouch², Matic Lozinšek¹

Affiliations

¹ Jožef Stefan Institute, Jamova cesta 39, 1000 Ljubljana, Slovenia.
² Institut de Ciència de Materials de Barcelona, ICMAB-CSIC, Campus UAB 08193, Bellaterra, Spain.

Abstract

The crystal structure of the co-crystal of aqua-tri-fluorido-boron with two ethyl-ene carbonate (systematic name: 1,3-dioxolan-2-one) mol-ecules, BF₃H₂O·2OC(OCH₂)₂, was determined by low-temperature single-crystal X-ray diffraction. The co-crystal crystallizes in the ortho-rhom-bic space group P2₁2₁2₁ with four formula units per unit cell. The asymmetric unit consists of an aqua-tri-fluorido-boron mol-ecule and two ethyl-ene carbonate mol-ecules, connected by O-H⋯O=C hydrogen bonds. This crystal structure is an inter-esting example of a superacidic BF₃H₂O species co-crystallized with an organic carbonate.

Keywords: aquatrifluoridoboron; co-crystal; crystal structure; ethylene carbonate.

Grants and funding

Funding for this research was provided by: European Research Council (ERC) (StG HiPeR-F and StG CAMBAT) (grant agreement Nos. 950625 and 715087); Marie Skłodowska-Curie Actions (COFUND-2016 DOC-FAM) under the European Union’s Horizon 2020 research and innovation programme (grant No. 754397); Jožef Stefan Institute Director’s Fund; Slovenian Research Agency (grant No. N1-0189); Spanish Ministry for Economy, Industry and Competitiveness Severo Ochoa Programme for Centres of Excellence in R&D (contract No. CEX2019-000917-S).