Abstract
The title Schiff base compound, C15H13BrN2O2, displays an E configuration with respect to the C=N double bond, which forms a dihedral angle of 58.06 (9)° with the benzene ring. In the crystal, the mol-ecules are linked into chains parallel to the b axis by N-H⋯O and C-H⋯O hydrogen bonds, giving rise to rings with an R 2 1(6) graph-set motif. The chains are further linked into a three-dimensional network by C-H⋯π inter-actions. A Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from C⋯H (33.2%), H⋯H (27.7%), Br⋯H/H⋯Br (14.2%) and O⋯H/H⋯O (13.6%) inter-actions. The title compound has also been characterized by frontier mol-ecular orbital analysis.
Highlights
Schiff bases are nitrogen-containing compounds that were first obtained by the condensation reactions of aromatic amines and aldehydes (Schiff et al, 1864)
The molecules are linked into chains extending along the b-axis direction by N1—H1NÁ Á ÁO2 and C8—H8Á Á ÁO2 hydrogen-bonding interactions (Table 1)
Cg1 and Cg2 are the centroids of the C1–C6 and C9–C14 rings, respectively
Summary
Schiff bases are nitrogen-containing compounds that were first obtained by the condensation reactions of aromatic amines and aldehydes (Schiff et al, 1864). The chemical and biological significance of Schiff bases can be attributed to the presence of a lone electron pair in the sp2-hybridized orbital of the nitrogen atom of the azomethine group (Singh et al, 1975). These compounds are used in the fields of organic synthesis, chemical catalysis and medicine, pharmacy, as well as other new technologies (Tanaka et al, 2010). Schiff bases are used as probes in investigating the structure of DNA (Tiwari et al, 2011), and have gained special attention in pharmacophore research and in the development of several bioactive lead molecules (Muralisankar et al, 2016). The crystal structure of the title compound, (E)-4-bromo-N0-(4-methoxybenzylidene)benzohydrazide is reported
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