N-（3-甲基苯基）喹喔啉-2-胺一水合物
N-(3-Methyl-phen-yl)quinoxalin-2-amine monohydrate.
作者信息
Idris Azila, Abdullah Zanariah, Ariffin Azahar, Fairuz Zainal A, Ng Seik Weng, Tiekink Edward R T
机构信息
Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2010 Aug 11;66(Pt 9):o2276. doi: 10.1107/S1600536810031260.
The quinoxaline system in the title hydrate, C(15)H(13)N(3)·H(2)O, is roughly planar, the r.m.s. deviation for the 18 non-H atoms being 0.188 Å; this conformation features a short intra-molecular C-H⋯N(pyrazine) inter-action. In the crystal, the amine H atom forms an N-H⋯O hydrogen bond to the water mol-ecule, which in turn forms two O-H⋯N hydrogen bonds to the pyrazine N atoms of different organic mol-ecules. These inter-actions lead to supra-molecular arrays in the bc plane that are two mol-ecules thick; additional π-π inter-actions stabilize the layers [ring centroid-centroid distance = 3.5923 (7) Å]. The layers stack along the a-axis direction via C-H⋯π contacts.
标题水合物C(15)H(13)N(3)·H(2)O中的喹喔啉体系大致呈平面状，18个非氢原子的均方根偏差为0.188 Å；这种构象的特点是存在短程分子内C-H⋯N（吡嗪）相互作用。在晶体中，胺氢原子与水分子形成N-H⋯O氢键，而水分子又与不同有机分子的吡嗪N原子形成两个O-H⋯N氢键。这些相互作用导致在bc平面上形成两层厚的超分子阵列；额外的π-π相互作用稳定了这些层[环心-环心距离 = 3.5923 (7) Å]。这些层通过C-H⋯π接触沿a轴方向堆叠。
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