摘要
化合物[(C14H8O2(PO(C6H5)2)2)].H2O(Ⅱ)是9,10-二(双苯基膦)蒽(Ⅰ)在苯乙炔汞存在下,以乙腈为溶剂与空气中的氧气反应得到的一个化合物。用X-单晶衍射仪对该化合物的晶体结构进行了表征,结果表明,该化合物属于单斜晶系C2/c空间群,其结构参数为:a=28.908(4),b=11.768(11),c=21.653(3),β=118.828(3)°,V=6 453.2(13)3,Z=8,R=0.050 2,wR=0.139 6。该化合物的不对称单元中包含8个独立的分子,处于顺式构型2个磷原子上分别键合有1个O原子和2个苯基。在结构中,一分子的溶剂水为无序,分别占据2个独立的位置。磷原子上的O原子与H2O之间存在氢键作用。
The target compound,[（C14H8O2（PO（C6H5）2）2）]·H2O（Ⅱ）,was obtained as a product of reaction of mercury phenylacetylene and 9,10-bis（diphenylphosphino）anthracene（Ⅰ） in acetonitrile by hydrothermal synthesis method and was characterized by single crystal X-ray diffraction.It was found that the compound belongs to monoclinic crystal system,with space group C2/c.Crystallographic data are： a=28.908（4）？,b=11.767 9（11）？,c=21.653（3）？;β=118.828（3）°;V=6 453.2（13）？^3,Z=8,R=0.050 2,wR=0.139 6.There are eight unique molecules in the asymmetric unit.In its structure,one oxygen atom and two phenyl groups at the two phosphorus atoms are in cis position to each other.One water solvate is present in the structure,occupying two independent positions.There are hydrogen bonds between this water molecule and oxygen atoms at the phosphorus atoms.
出处
《广西大学学报（自然科学版）》
CAS
CSCD
北大核心
2011年第3期454-457,共4页
Journal of Guangxi University（Natural Science Edition）
基金
广西自然科学基金重点项目(2010GXNSFD013013)
关键词
合成
蒽
晶体结构
氢键
synthesis
anthracene
crystal structure
hydrogen bonds
