Crystal structure and Hirshfeld surface analysis study of (E)-1-(4-chlorophenyl)-N-(4-ferrocenylphenyl)methanimine
| Autor: | E. Irrou, Nada Kheira Sebbar, Riham Sghyar, Y. Ait Elmachkouri, Joel T. Mague, El Mestafa El Hadrami, Abdeslem Ben-Tama, Oussama Moussaoui, Tuncer Hökelek |
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| Rok vydání: | 2021 |
| Předmět: |
Surface (mathematics)
crystal structure Crystallography Chemistry Imine Substituent General Chemistry Crystal structure Dihedral angle Condensed Matter Physics Ring (chemistry) ferrocenyl Crystal chemistry.chemical_compound symbols.namesake QD901-999 symbols c—h...π(ring) interaction General Materials Science imine van der Waals force |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications, Vol 77, Iss 9, Pp 875-879 (2021) |
| ISSN: | 2056-9890 |
| Popis: | The substituted cyclopentadienyl ring in the title molecule, [Fe(C5H5)(C18H13ClN)], is nearly coplanar with the phenyl-1-(4-chlorophenyl)methanimine substituent, with dihedral angles between the planes of the phenylene ring and the Cp and 4-(chlorophenyl)methanimine units of 7.87 (19) and 9.23 (10)°, respectively. The unsubstituted cyclopentadienyl ring is rotationally disordered, the occupancy ratio for the two orientations refined to a 0.666 (7)/0.334 (7) ratio. In the crystal, the molecules pack in `bilayers' parallel to the ab plane with the ferrocenyl groups on the outer faces and the substituents directed towards the regions between them. The ferrocenyl groups are linked by C—H...π(ring) interactions. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H...H (46.1%), H...C/C... H (35.4%) and H...Cl/Cl...H (13.8%) interactions. Thus C—H...π(ring) and van der Waals interactions are the dominant interactions in the crystal packing. |
| Databáze: | OpenAIRE |
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