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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.

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 60.9?(2) and 64.1?(2)°, respectively. Mol-ecules are linked through weak X?Cl contacts [X = Br for (I) and Cl for (II)], C-H?Cl and C-Cl?? 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 C?H/H?C (16.1%), O?H/H?O (13.1%), Cl?H/H?Cl (12.7%), H?H (11.4%), Br?H/H?Br (8.9%), N?H/H?N (6.9%) and Cl?C/C?Cl (6.6%) inter-actions, and for (II), from Cl?H / H?Cl (21.9%), C?H/H?C (15.3%), O?H/H?O (13.4%), H?H (11.5%), Cl?C/C?Cl (8.3%), N?H/H?N (7.0%) and Cl?Cl (5.9%) inter-actions. The crystal of (I) studied was refined as an inversion twin, the ratio of components being 0.9917?(12):0.0083?(12).

SUBMITTER: Akkurt M 

PROVIDER: S-EPMC6690453 | biostudies-literature | 2019 Aug

REPOSITORIES: biostudies-literature

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Crystal structures and Hirshfeld surface analyses of the two isotypic compounds (<i>E</i>)-1-(4-bromo-phen-yl)-2-[2,2-di-chloro-1-(4-nitro-phen-yl)ethen-yl]diazene and (<i>E</i>)-1-(4-chloro-phen-yl)-2-[2,2-di-chloro-1-(4-nitro-phen-yl)ethen-yl]diazene.

Akkurt Mehmet M   Shikhaliyev Namiq Q NQ   Suleymanova Gulnar T GT   Babayeva Gulnare V GV   Mammadova Gunay Z GZ   Niyazova Ayten A AA   Shikhaliyeva Irada M IM   Toze Flavien A A FAA  

Acta crystallographica. Section E, Crystallographic communications 20190719 Pt 8

In the two isotypic title compounds, C<sub>14</sub>H<sub>8</sub>BrCl<sub>2</sub>N<sub>3</sub>O<sub>2</sub>, (<b>I</b>), and C<sub>14</sub>H<sub>8</sub>Cl<sub>3</sub>N<sub>3</sub>O<sub>2</sub>, (<b>II</b>), the substitution of one of the phenyl rings is different [Br for (<b>I</b>) and Cl for (<b>II</b>)]. Aromatic rings form dihedral angles of 60.9 (2) and 64.1 (2)°, respectively. Mol-ecules are linked through weak <i>X</i>⋯Cl contacts [<i>X</i> = Br for (<b>I</b>) and Cl for (<b>II</b>)], C-H⋯C  ...[more]

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