5-Diethyl-amino-2-[(E)-(4-methyl-3-nitro-phenyl)-imino-meth-yl]phenol: a redetermination.
5-Diethyl-amino-2-[(E)-(4-methyl-3-nitro-phenyl)-imino-meth-yl]phenol: a redetermination.
复制标题
5-二乙基氨基-2-[(E)-(4-甲基-3-硝基-苯基)-亚氨基-甲基]苯酚：重新测定。
DOI：
10.1107/s1600536809001731
复制
发表时间：
2009
期刊：
影响因子：
--
通讯作者：
Isloor,ArunM
中科院分区：
文献类型：
--
作者：
Fun,Hoong-Kun;Kia,Reza;Vijesh,AM;Isloor,ArunM
标题化合物 C18H21N3O3 是潜在的双齿席夫碱配体。整个分子是无序的，其位点占用比为 0.567 (4):0.433 (4)，而不仅仅是之前报道的一个乙基 [Sarojini 等人，2017]。 （2007）。阿克塔水晶。 E63，o4782–o4782]。使用整个分子无序，R 值比公布的值小得多。分子内 O—H⋯N 氢键生成六元环，产生 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 C—H⋯O 相互作用将相邻分子连接成带有 R22(18) 基序的二聚体。在晶体结构中，这些二聚体通过分子间C—H⋯O相互作用连接在一起，形成沿b轴的一维延伸链。晶体结构通过分子间 π-π 堆积相互作用进一步稳定[质心-质心距离 = 3.458 (8)–3.691 (6) Å]。
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 R22(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].