Synthesis, crystal structure and Hirshfeld surface analysis of 2,2-di-chloro-3,3-dieth-oxy-1-(4-fluoro-phen-yl)propan-1-ol.

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作者:Guseynova Saadet N, Samigullina Aida I, Demir Cemile Baydere, Dege Necmi, Sepay Nayim, Zangrando Ennio, Hasanov Khudayar I, Belay Alebel N
The title mol-ecule, C(13)H(17)Cl(2)FO(3), crystallizes in the ortho-rhom-bic space group P2(1)2(1)2(1) with one mol-ecule in the asymmetric unit. The skeleton of the mol-ecule exhibits an anti conformation with a C-C-C-C(Ph) torsion angle of -174.97†(18)°. The species are weakly hy-dro-gen bonded to form a polymeric chain elongated in the direction of the b axis. This inter-action is realised by the hydroxyl group with an ether O atom of a symmetry-related species [O-H⋯O hy-dro-gen-bond distance of 2.975†(2)†à ]. No π-stacking inter-action involving the fluoro-benzyl moiety is detected in the crystal structure. Hirshfeld surface analysis, confirming the O-H⋯O donor-acceptor inter-actions, 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%).

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