Abstract
In the title Schiff base compound, C19H17N3O, the configuration about the C=N bond is E. The mol-ecule is non-planar, with the phenolic and pyridine rings being inclined to the central benzene ring by 56.59 (4) and 15.13 (14)°, respectively. In the crystal, mol-ecules are linked by pairs of O-H⋯N hydrogen bonds, forming inversion dimers. The dimers are connected to neighbouring dimers by N-H⋯O hydrogen bonds and C-H⋯π inter-actions, forming layers parallel to the bc plane. The layers are linked by offset π-π inter-actions [inter-centroid distance = 3.779 (2) Å], forming a three-dimensional supra-molecular structure. Quantum chemical calculations of the mol-ecule are in good agreement with the solid-state structure.
Highlights
Schiff bases often exhibit various biological activities and, in many cases, have been shown to have antibacterial, anticancer, anti-inflammatory and antitoxic properties (Lozier et al, 1975)
We report on the crystal structure and DFT computational calculation of the title Schiff base compound
The C7—N1—C8 angle is 123.43 (1) and the C7—N1—H1A—C8 fragment is approximately planar; the amine N1 atom exhibits a geometry what is typical for an sp2 rather than an sp3 atom
Summary
Schiff bases often exhibit various biological activities and, in many cases, have been shown to have antibacterial, anticancer, anti-inflammatory and antitoxic properties (Lozier et al, 1975). Hydroxy Schiff bases have been studied extensively for their biological, photochromic and thermochromic properties (Garnovskii et al, 1993; Hadjoudis et al, 2004). They can be used as potential materials for optical memory and switch devices (Zhao et al, 2007). Schiff bases derived from pyridinecarbaldehydes have attracted considerable interest in synthetic chemistry. This category covers a diverse range of bidentate or polydentate bridging (Wu & Liang, 2008; Dong et al, 2000; Knodler et al, 2000), which played a significant role in coordination chemistry (Faizi & Hussain, 2014). Symmetry codes: (i) Àx; Ày þ 1; Àz; (ii) Àx; y þ 12; Àz À 12; (iii) Àx; Ày þ 2; Àz
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