Stapf Manuel, Schmidt Ute, Seichter Wilhelm, Mazik Monika
Institut für Organische Chemie, Technische Universität Bergakademie Freiberg, Leipziger Str. 29, 09599 Freiberg/Sachsen, Germany.
Acta Crystallogr E Crystallogr Commun. 2022 Jul 26;78(Pt 8):825-828. doi: 10.1107/S2056989022007411. eCollection 2022 Aug 1.
In the crystal structure of the title compound, CHNO, the two bis-(hy-droxy-eth-yl)amino moieties and the 2,4-di-methyl-pyridinyl-amino unit of the mol-ecule are located on one side of the central benzene ring, while the ethyl substituents are oriented in the opposite direction. The dihedral angle between the planes of the aromatic rings is 73.6 (1)°. The conformation of the mol-ecule is stabilized by intra-molecular O-H⋯O (1.86-2.12 Å) and C-H⋯N (2.40, 2.54 Å) hydrogen bonds. Dimers of inversion-related mol-ecules represent the basic supra-molecular entities of the crystal structure. They are further connected O-H⋯O hydrogen bonding into undulating layers extending parallel to the crystallographic plane. Inter-layer inter-action is accomplished by weak C-H⋯π contacts.
在标题化合物CHNO的晶体结构中，分子的两个双（羟乙基）氨基部分和2,4 - 二甲基吡啶基氨基单元位于中心苯环的一侧，而乙基取代基则朝向相反方向。芳香环平面之间的二面角为73.6 (1)°。分子构象通过分子内O - H⋯O（1.86 - 2.12 Å）和C - H⋯N（2.40, 2.54 Å）氢键得以稳定。由反转相关分子形成的二聚体代表了晶体结构的基本超分子实体。它们通过O - H⋯O氢键进一步连接成平行于晶体学平面延伸的起伏层。层间相互作用通过弱C - H⋯π接触实现。
