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Crystal structure and Hirshfeld surface analysis of (2E,2'E)-1,1'-[seleno-bis-(4,1-phenyl-ene)]bis-[3-(4-chloro-phen-yl)prop-2-en-1-one].

ABSTRACT: In the title com-pound, 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 phenyl-ene(4-chloro-phen-yl)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 mol-ecules stack up the a axis, forming layers parallel to the ac plane. There are no significant classical inter-molecular inter-actions present. Hirshfeld surface analysis, two-dimensional fingerprint plots and the mol-ecular 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%).

SUBMITTER: Bouraoui H 

PROVIDER: S-EPMC6829715 | biostudies-literature | 2019 Nov

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of (2<i>E</i>,2'<i>E</i>)-1,1'-[seleno-bis-(4,1-phenyl-ene)]bis-[3-(4-chloro-phen-yl)prop-2-en-1-one].

Bouraoui Hazem H   Mechehoud Youcef Y   Chetioui Souheyla S   Touzani Rachid R   Medjani Meriem M   Benmilat Ahmed A   Boudjada Ali A  

Acta crystallographica. Section E, Crystallographic communications 20191022 Pt 11

In the title com-pound, C<sub>30</sub>H<sub>20</sub>Cl<sub>2</sub>O<sub>2</sub>Se, 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 phenyl-ene(4-chloro-phen-yl)prop-2-en-1-one units, the benzene rings are inclined to eac  ...[more]

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