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 -174.97â (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-Hâ¯O hy-dro-gen-bond distance of 2.975â (2)â à ]. No Ï-stacking inter-action involving the fluoro-benzyl moiety is detected in the crystal structure. Hirshfeld surface analysis, confirming the O-Hâ¯O donor-acceptor inter-actions, indicates that the most important contributions to the surface contacts are Hâ¯H (47.0%), Clâ¯H (19.5%), Câ¯H (12.1%) and Fâ¯H (10.7%).
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
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2025 | 起止号: | 2025 Apr 29; 81(Pt 5):444-447 |
| doi: | 10.1107/S2056989025002154 | ||
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