Abdul Rahman Mohd Basyaruddin, Jumbri Khairulazhar, Sirat Kamaliah, Kia Reza, Fun Hoong-Kun
Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 10;65(Pt 1):o49-50. doi: 10.1107/S1600536808040348.
The asymmetric unit of the title compound, C(8)H(20)N(+)·C(4)H(5)O(5) (-)·1.36H(2)O, contains two independent ion pairs, with similar conformations, and three water mol-ecules of crystallization, one water mol-ecule haing a site-occupancy factor of 0.721 (5). Intra-molecular O-H⋯O hydrogen bonds, involving the hydr-oxy groups and an O atom of each carboxyl-ate anion, generate five-membered rings involving S(5) ring motifs. In the crystal structure, mol-ecules are linked together by water mol-ecules through four-membered O-H⋯O-H⋯O-H inter-actions to form one-dimensional infinite chains along the a axis. Since the mol-ecules are also linked into one-dimensional infinite chains along the b axis, mol-ecular sheets parallel to the (001) plane are created. Overall, the crystal structure is stabilized by two intra-molecular O-H⋯O hydrogen bonds, nine inter-molecular O-H⋯O and ten C-H⋯O hydrogen bonds.
标题化合物C(8)H(20)N(+)·C(4)H(5)O(5) (-)·1.36H(2)O的不对称单元包含两个构象相似的独立离子对以及三个结晶水分子，其中一个水分子的占位因子为0.721 (5)。分子内的O-H⋯O氢键，涉及羟基和每个羧酸根阴离子的一个O原子，形成了包含S(5)环基序的五元环。在晶体结构中，分子通过水分子经由四元O-H⋯O-H⋯O-H相互作用连接在一起，沿a轴形成一维无限链。由于分子沿b轴也连接成一维无限链，从而形成了平行于(001)平面的分子片层。总体而言，晶体结构通过两个分子内O-H⋯O氢键、九个分子间O-H⋯O氢键和十个C-H⋯O氢键得以稳定。
