Thanigaimani Kaliyaperumal, Khalib Nuridayanti Che, Arshad Suhana, Razak Ibrahim Abdul
School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia.
Acta Crystallogr Sect E Struct Rep Online. 2013 Jan 1;69(Pt 1):o44. doi: 10.1107/S1600536812049495. Epub 2012 Dec 8.
In the title hydrated salt, C11H12NO(+)·Cl(-)·2H2O, the quinoline ring system is essentially planar, with a maximum deviation of 0.005 (1) Å for all non-H atoms. In the crystal, the three components are linked by O-H⋯O, N-H⋯O, O-H⋯Cl and weak C-H⋯O hydrogen bonds, forming a layer structure parallel to the ac plane. The crystal structure is further stabilized by π-π stacking inter-actions, with centroid-centroid distances of 3.5213 (6) and 3.7176 (6) Å.
在标题水合盐C11H12NO(+)·Cl(-)·2H2O中,喹啉环系统基本呈平面状,所有非H原子的最大偏差为0.005 (1) Å。在晶体中,三种组分通过O-H⋯O、N-H⋯O、O-H⋯Cl和弱C-H⋯O氢键相连,形成平行于ac平面的层状结构。晶体结构通过π-π堆积相互作用进一步稳定,质心间距为3.5213 (6) 和3.7176 (6) Å。