吡嗪
化学
氢键
齿合度
结晶学
晶体结构
配体(生物化学)
协调球
Atom(片上系统)
吡啶
立体化学
生物信息学
分子
药物化学
有机化学
受体
生物
嵌入式系统
生物化学
计算机科学
作者
D.S. Cati,H. Stoeckli‐Evans
标识
DOI:10.1107/s1600536814011520
摘要
The title compound, [Cu(C11H9N4O)(CH3CO2)]·2H2O (CuL), is a hydrated copper acetate complex of the ligand N-[(pyridin-4-yl)meth-yl]pyrazine-2-carboxamide (HL). Complex CuL has a metal-organic framework (MOF) structure with a 10 (3) network topology. The ligand coordinates in a bidentate and a bis-monodentate manner, bridging three equivalent Cu(II) atoms via the pyridine N atom and the second pyrazine N atom. The Cu(II) atom has a fivefold coordination sphere, CuN4O, being coordinated to three N atoms of the ligand and the acetate O atom in the equatorial plane and to the second pyrazine atom in the apical position. This gives rise to a fairly regular square-pyramidal geometry. In the crystal, the water mol-ecules are linked to each other and to the three-dimensional framework via O-H⋯O hydrogen bonds. There are also a number of C-H⋯O hydrogen bonds present within the framework.
科研通智能强力驱动
Strongly Powered by AbleSci AI