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Crystal structure and Hirshfeld surface analysis of (E)-4-{[2,2-di-chloro-1-(4-meth-oxy-phen-yl)ethen-yl]diazen-yl}benzo-nitrile.

ABSTRACT: In the title compound, C₁₆H₁₁Cl₂N₃O, the 4-meth-oxy-substituted benzene ring makes a dihedral angle of 41.86?(9)° with the benzene ring of the benzo-nitrile group. In the crystal, mol-ecules are linked into layers parallel to (020) by C-H?O contacts and face-to-face ?-? stacking inter-actions [centroid-centroid distances = 3.9116?(14) and 3.9118?(14)?Å] between symmetry-related aromatic rings along the a-axis direction. A Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from Cl?H/H?Cl (22.8%), H?H (21.4%), N?H/H?N (16.1%), C?H/H?C (14.7%) and C?C (9.1%) inter-actions.

SUBMITTER: Akkurt M

PROVIDER: S-EPMC6690439 | biostudies-literature | 2019 Aug

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of (E)-4-{[2,2-di-chloro-1-(4-meth-oxy-phen-yl)ethen-yl]diazen-yl}benzo-nitrile.

Akkurt Mehmet M Shikhaliyev Namiq Q NQ Askerova Ulviyya F UF Mukhtarova Sevinc H SH Mammadova Gunay Z GZ Toze Flavien A A FAA

Acta crystallographica. Section E, Crystallographic communications 20190716 Pt 8

In the title compound, C16H11Cl2N3O, the 4-meth-oxy-substituted benzene ring makes a dihedral angle of 41.86 (9)° with the benzene ring of the benzo-nitrile group. In the crystal, mol-ecules are linked into layers parallel to (020) by C-H⋯O contacts and face-to-face π-π stacking inter-actions [centroid-centroid distances = 3.9116 (14) and 3.9118 (14) Å] between symmetry-related aromatic rings along the a-axis direction. A Hirshfeld surface analy ...[more]

PMID: 31417790

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