Abstract
The title compound, C18H21N3O3, is a potential bidentate Schiff base ligand. The whole molecule 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 molecule disorder, R values are much smaller than those published. An intramolecular 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) Å] and C⋯O [2.983 (5)–3.149 (13) Å] contacts. Intermolecular C—H⋯O interactions link neighbouring molecules into dimers with R 2 2(18) motifs. In the crystal structure, these dimers are linked together by intermolecular C—H⋯O interactions into one-dimensional extended chains along the b axis. The crystal structure is further stabilized by intermolecular π–π stacking interactions [centroid–centroid distances = 3.458 (8)–3.691 (6) Å].
Highlights
The whole molecule 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)
The low-temperature data was collected with the Oxford Cyrosystem Cobra low-temperature attachment
The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry
Summary
Key indicators: single-crystal X-ray study; T = 100 K; mean () = 0.000 Å; disorder in main residue; R factor = 0.043; wR factor = 0.117; data-to-parameter ratio = 11.5. The whole molecule 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). Using the whole molecule disorder, R values are much smaller than those published. Intermolecular C—H O interactions link neighbouring molecules into dimers with R22(18) motifs. These dimers are linked together by intermolecular C—H O interactions into one-dimensional extended chains along the b axis. The crystal structure is further stabilized by intermolecular – stacking interactions [centroid–centroid distances = 3.458 (8)–3.691 (6) Å]
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