Samolová Erika, Fábry Jan
Inst. of Physics of the Czech Academy of Sciences, Na Slovance 2, 182 21 Praha 8, Czech Republic.
Acta Crystallogr E Crystallogr Commun. 2020 Jul 17;76(Pt 8):1307-1310. doi: 10.1107/S2056989020009639. eCollection 2020 Aug 1.
Caesium propano-ate monohydrate, Cs·CHO ·HO, is composed of two symmetry-independent Cs cations, which are situated on the special position 4 of space group 2 , one symmetry-independent propano-ate mol-ecule in a general position and a pair of water mol-ecules also situated on special position 4. Two pairs of these symmetry-independent cations, four propano-ate mol-ecules and two pairs of symmetry-independent water mol-ecules form a repeat unit. These units form columns that are directed along the axis and possess symmetry 2. There are four such columns passing through each unit cell. Each column is inter-connected to its neighbours by four bifurcated three-centred O-H⋯O (w = water, p = propano-ate) hydrogen bonds of moderate strength. There are also four intra-molecular O-H⋯O hydrogen bonds of moderate strength within each column. One Cs cation is coordinated by six oxygen atoms (two water and four carboxyl-ate) in a trigonal-prismatic geometry, while the other Cs cation is coordinated by four water and four carboxyl-ate O atoms in a tetra-gonal-prismatic arrangement.
一水合丙酸铯(Cs·C₃H₅O₂·H₂O)由两个对称独立的Cs阳离子组成,它们位于空间群2的特殊位置4上,一个对称独立的丙酸根分子处于一般位置,还有一对水分子也位于特殊位置4。两对这些对称独立的阳离子、四个丙酸根分子和两对对称独立的水分子形成一个重复单元。这些单元形成沿轴方向排列且具有2对称性的柱体。每个晶胞中有四条这样的柱体。每条柱体通过四个中等强度的分叉三中心O-H⋯O(w = 水,p = 丙酸根)氢键与其相邻柱体相互连接。每条柱体内还有四个中等强度 的分子内O-H⋯O氢键。一个Cs阳离子由六个氧原子(两个水分子和四个羧酸根)以三角棱柱几何构型配位,而另一个Cs阳离子由四个水分子和四个羧酸根O原子以四方棱柱排列配位。