Work

Intra- and intermolecular C—H...F hydrogen bonds in the crystal structure of 1,2-bis[2-(2,3,4,5-tetrafluorophenyl)ethynyl]benzene

Year: 2024

Type: article

Abstract: The title molecule, C 22 H 6 F 8 , crystallizes in the monoclinic space group P 2 1 / c with two unique molecules in the asymmetric unit and Z = 8. Each molecule features a short intramolecular sp 2 -C—H...F hydrogen bond with H...F separations at 2.363 (14) and 2.270 (14) Å, corresponding to 91 and 87.5% of the sum of the van der Waals radii, and C—H...F angles of 158.3 (14) and 166.8 (14)°, respectively. Each molecule also forms an intermolecular bifurcated CH...(F) 2 interaction with H...F distances ranging from 2.500 (16) to 2.597 (17) Å.

Source: Acta Crystallographica Section E Crystallographic Communications

DOI: 10.1107/s2056989024010995

Authors: Eric Bosch, Nathan P. Bowling

Institutions: Missouri State University, University of Wisconsin–Stevens Point

Language: English

Topic: Crystallography and molecular interactions

Subfield: Physical and Theoretical Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $500

Funder: National Science Foundation