Crystal structure and Hirshfeld surface analysis of (2E,2′E)-1,1′-[selenobis(4,1-phenylene)]bis[3-(4-chlorophenyl)prop-2-en-1-one]
| Autor: | Ali Boudjada, Rachid Touzani, Ahmed Benmilat, Meriem Medjani, Souheyla Chetioui, Hazem Bouraoui, Youcef Mechehoud |
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| Jazyk: | angličtina |
| Rok vydání: | 2019 |
| Předmět: |
Surface (mathematics)
crystal structure Crystallography Chemistry General Chemistry Crystal structure Dihedral angle 010402 general chemistry 010403 inorganic & nuclear chemistry Condensed Matter Physics 01 natural sciences Research Communications 0104 chemical sciences Crystal chemistry.chemical_compound QD901-999 Atom hirshfeld surface analysis General Materials Science organoselenium Benzene selenium Ene reaction |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications, Vol 75, Iss 11, Pp 1724-1728 (2019) Acta Crystallographica Section E: Crystallographic Communications |
| ISSN: | 2056-9890 |
| Popis: | In the title organoselenium compound, the C—Se—C angle is 99.0 (2)°, with the dihedral angle between the planes of the attached benzene rings being 79.1 (3)°. In the title compound, C30H20Cl2O2Se, the C—Se—C angle is 99.0 (2)°, with the dihedral angle between the planes of the attached benzene rings being 79.1 (3)°. The average endocyclic angles (Se—C—C) facing the Se atom are 122.1 (5) and 122.2 (5)°. The Se atom is essentially coplanar with the attached benzene rings, deviating by 0.075 (1) and 0.091 (1) Å. In the two phenylene(4-chlorophenyl)prop-2-en-1-one units, the benzene rings are inclined to each other by 44.6 (3) and 7.8 (3)°. In the crystal, the molecules stack up the a axis, forming layers parallel to the ac plane. There are no significant classical intermolecular interactions present. Hirshfeld surface analysis, two-dimensional fingerprint plots and the molecular electrostatic potential surface were used to analyse the crystal packing. The Hirshfeld surface analysis suggests that the most significant contributions to the crystal packing are by C⋯H/H⋯C contacts (17.7%). |
| Databáze: | OpenAIRE |
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