Fun Hoong-Kun, Kia Reza, Vijesh A M, Isloor Arun M
Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 17;65(Pt 2):o349-50. doi: 10.1107/S1600536809001731.
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) Å] and C⋯O [2.983 (5)-3.149 (13) Å] 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) Å].
标题化合物C(18)H(21)N(3)O(3)是一种潜在的双齿席夫碱配体。整个分子存在无序，其精修的位点占有率比为0.567 (4):0.433 (4)，并非如先前报道的那样只是一个乙基[萨罗吉尼等人（2007年▶）。《晶体学报》E63，o4782 - o4782]。利用整个分子的无序性，R值比已发表的要小得多。分子内的O - H⋯N氢键形成一个六元环，产生一个S(6)环基序。两个苯环（主要成分）的平均平面之间的二面角为9.0 (5)°。晶体结构显示出短的C⋯C [3.189 (15) - 3.298 (12) Å]和C⋯O [2.983 (5) - 3.149 (13) Å]接触。分子间的C - H⋯O相互作用将相邻分子连接成具有R(2) (2)(18)基序的二聚体。在晶体结构中，这些二聚体通过分子间的C - H⋯O相互作用沿b轴连接在一起形成一维延伸链。晶体结构通过分子间的π - π堆积相互作用[质心 - 质心距离 = 3.458 (8) - 3.691 (6) Å]进一步稳定。
