Crystal Structure And Hirshfeld Surface Analysis Of (2z)-N,N-Dimethyl-2-(Pentafluorophenyl)-2-(2phenylhydrazin-1-Ylidene)Ace Tamide

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS(2021)

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摘要
In the title compound, C16H12F5N3O, the dihedral angle between the aromatic rings is 31.84 (8)degrees. In the crystal, the molecules are linked into dimers possessing crystallographic twofold symmetry by pairwise N-H center dot center dot center dot O hydrogen bonds and weak C-H center dot center dot center dot O hydrogen bonds and aromatic pi-pi stacking interactions link the dimers into a three-dimensional network. A Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from F center dot center dot center dot H/H center dot center dot center dot F (41.1%), H center dot center dot center dot H (21.8%), C center dot center dot center dot H/H center dot center dot center dot C (9.7%) C center dot center dot center dot C (7.1%) and O center dot center dot center dot H/H center dot center dot center dot O (7.1%) contacts. The contribution of some disordered solvent to the scattering was removed using the SQUEEZE routine [Spek (2015). Acta Cryst. C71, 9-18] in PLATON. The solvent contribution was not included in the reported molecular weight and density.
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关键词
crystal structure, fluorine, hydrogen bonds, pi-pi stacking interactions, SQUEEZE, Hirshfeld surface analysis
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