Title of article :
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]
Author/Authors :
Bouraoui, Hazem Laboratoire de Cristallographie - Département de Physique - Université des Frères Mentouri-Constantine, Algeria , Mechehoud,Youcef Laboratoire VAREN - Département de Chimie - Faculté des Sciences Exactes - Université Mentouri-Constantine, 25000 Constantine, Algeria , Chetioui, Souheyla Chetiouid,e* Unité de Recherche de Chimie de l'Environnement et Moléculaire Structurale (CHEMS), Faculté des Sciences Exactes, Département de Chimie - Université des Frères Mentouri Constantine,Algeria , Touzani, Rachid Laboratoire de Chimie Appliquée et Environnement - Faculté des Sciences, Université Mohamed Premier, BP524, 60000, Oujda, Morocco , Medjani, Meriem Laboratoire de Cristallographie - Département de Physique - Université des Frères Mentouri-Constantine, Algeria , Benmilat, Ahmed Laboratoire de Cristallographie - Département de Physique - Université des Frères Mentouri-Constantine, Algeria , Boudjada, Ali Laboratoire de Cristallographie - Département de Physique - Université des Frères Mentouri-Constantine, Algeria
Abstract :
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%).
Keywords :
crystal structure , organoselenium , selenium , Hirshfeld surface analysis