5-Diethyl-amino-2-[(E)-(4-methyl-3-nitro-phenyl)-imino-meth-yl]phenol: a redetermination.

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作者:Fun Hoong-Kun, Kia Reza, Vijesh A M, Isloor Arun M
The title compound, C(18)H(21)N(3)O(3), is a potential bidentate Schiff base ligand. The whole mol-ecule is disordered with a refined site-occupancy ratio of 0.567†(4):0.433†(4) and not just one ethyl group as reported previously [Sarojini et al. (2007 ▶). Acta Cryst. E63, o4782-o4782]. Using the whole mol-ecule disorder, R values are much smaller than those published. An intra-molecular O-H⋯N hydrogen bond generates a six-membered ring, producing an S(6) ring motif. The dihedral angle between the mean plane of the two benzene rings (major component) is 9.0†(5)°. The crystal structure shows short C⋯C [3.189†(15)-3.298†(12)†à ] and C⋯O [2.983†(5)-3.149†(13)†à ] contacts. Inter-molecular C-H⋯O inter-actions link neighbouring mol-ecules into dimers with R(2) (2)(18) motifs. In the crystal structure, these dimers are linked together by inter-molecular C-H⋯O inter-actions into one-dimensional extended chains along the b axis. The crystal structure is further stabilized by inter-molecular π-π stacking inter-actions [centroid-centroid distances = 3.458†(8)-3.691†(6)†à ].

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