Synthesis, crystal structure and Hirshfeld surface analysis of 2,2-dichloro-3,3-diethoxy-1-(4-fluorophenyl)propan-1-ol
Özet
The title molecule, C<inf>13</inf>H<inf>17</inf>Cl<inf>2</inf>FO<inf>3</inf>, crystallizes in the orthorhombic space group P2<inf>1</inf>2<inf>1</inf>2<inf>1</inf> with one molecule in the asymmetric unit. The skeleton of the molecule exhibits an anti conformation with a C - C - C - C(Ph) torsion angle of -174.97 (18)°. The species are weakly hydrogen bonded to form a polymeric chain elongated in the direction of the b axis. This interaction is realised by the hydroxyl group with an ether O atom of a symmetry-related species [O - H⋯O hydrogen-bond distance of 2.975 (2) Å]. No π-stacking interaction involving the fluorobenzyl moiety is detected in the crystal structure. Hirshfeld surface analysis, confirming the O - H⋯O donor-acceptor interactions, indicates that the most important contributions to the surface contacts are H⋯H (47.0%), Cl⋯H (19.5%), C⋯H (12.1%) and F⋯H (10.7%). © 2025 Elsevier B.V., All rights reserved.
