Crystal structures and Hirshfeld surface analyses of the two isotypic compounds (E)-1-(4-bromo-phen-yl)-2-[2,2-di-chloro-1-(4-nitro-phen-yl)ethen-yl]diazene and (E)-1-(4-chloro-phen-yl)-2-[2,2-di-chloro-1-(4-nitro-phen-yl)ethen-yl]diazene.
Acta Crystallogr E Crystallogr Commun
; 75(Pt 8): 1199-1204, 2019 Aug 01.
Article
em En
| MEDLINE
| ID: mdl-31417792
ABSTRACT
In the two isotypic title compounds, C14H8BrCl2N3O2, (I), and C14H8Cl3N3O2, (II), the substitution of one of the phenyl rings is different [Br for (I) and Cl for (II)]. Aromatic rings form dihedral angles of 60.9â
(2) and 64.1â
(2)°, respectively. Mol-ecules are linked through weak Xâ¯Cl contacts [X = Br for (I) and Cl for (II)], C-Hâ¯Cl and C-Clâ¯π inter-actions into sheets parallel to the ab plane. Additional van der Waals inter-actions consolidate the three-dimensional packing. Hirshfeld surface analysis of the crystal structures indicates that the most important contributions for the crystal packing for (I) are from Câ¯H/Hâ¯C (16.1%), Oâ¯H/Hâ¯O (13.1%), Clâ¯H/Hâ¯Cl (12.7%), Hâ¯H (11.4%), Brâ¯H/Hâ¯Br (8.9%), Nâ¯H/Hâ¯N (6.9%) and Clâ¯C/Câ¯Cl (6.6%) inter-actions, and for (II), from Clâ¯H / Hâ¯Cl (21.9%), Câ¯H/Hâ¯C (15.3%), Oâ¯H/Hâ¯O (13.4%), Hâ¯H (11.5%), Clâ¯C/Câ¯Cl (8.3%), Nâ¯H/Hâ¯N (7.0%) and Clâ¯Cl (5.9%) inter-actions. The crystal of (I) studied was refined as an inversion twin, the ratio of components being 0.9917â
(12)0.0083â
(12).
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Ano de publicação:
2019
Tipo de documento:
Article