1 - [5 - 乙酰基 - 2,6 - 二甲基 - 4 - (5 - 苯基 - 1H - 吡唑 - 3 - 基) - 1,4 - 二氢吡啶 - 3 - 基]乙酮一水合物
1-[5-Acetyl-2,6-dimethyl-4-(5-phenyl-1H-pyrazol-3-yl)-1,4-dihydro-pyridin-3-yl]ethanone monohydrate.
作者信息
Islor Arun M, Malladi Shridhar, Sundershan S, Gerber Thomas, Hosten Eric, Betz Richard
机构信息
National Institute of Technology-Karnataka, Department of Chemistry, Organic Chemistry Laboratory, Surathkal, Mangalore 575 025, India.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2012 Nov 1;68(Pt 11):o3156-7. doi: 10.1107/S1600536812042614. Epub 2012 Oct 20.
Abstract
In the title compound, C(20)H(21)N(3)O(2)·H(2)O, the aza-substitued six-membered ring adopts a (L4)B conformation. In the crystal, classical N-H⋯O, N-H⋯N and O-H⋯O hydrogen bonds connect the entities into a three-dimensional network. Intra-molecular C-H⋯O contacts are also observed.
摘要
在标题化合物C₂₀H₂₁N₃O₂·H₂O中，含氮取代的六元环呈(L4)B构象。在晶体中，经典的N-H⋯O、N-H⋯N和O-H⋯O氢键将各实体连接成三维网络。还观察到分子内的C-H⋯O接触。
Zotero 插件