四水双（1,3 - 二甲基 - 2,6 - 二氧代 - 3,7 - 二氢 - 1H - 嘌呤 - 9 - 基）镁的晶体结构
Crystal structure of tetra-aquabis(1,3-dimethyl-2,6-dioxo-3,7-di-hydro-1H-purin-9-ido)magnesium.
作者信息
Shi Yabin, Lou Benyong
机构信息
Department of Chemistry and Chemical Engineering, Minjiang University, Fuzhou 350108, People's Republic of China.
出版信息
Acta Crystallogr E Crystallogr Commun. 2015 Feb 28;71(Pt 3):321-3. doi: 10.1107/S2056989015003758. eCollection 2015 Mar 1.
The title complex, [Mg(C7H7N4O2)2(H2O)4], lies across an inversion centre and the Mg(II) atom is coordinated in a slightly distorted octa-hedral environment by four aqua ligands in the equatorial sites and two 1,3-dimethyl-2,6-dioxo-3,7-di-hydro-1H-purin-9-ide ligands, through imidazole ring N atoms, in the axial sites. An intra-molecular O-H⋯O hydrogen bond forms an S(7) graph-set motif. In the crystal, O-H⋯O and O-H⋯N hydrogen bonds link complex mol-ecules forming a three-dimensional network incorporating R 4 (2)(8) and R 2 (2)(18) graph-set motifs.
标题配合物[Mg(C₇H₇N₄O₂)₂(H₂O)₄]位于一个对称中心上，Mg(II)原子在一个稍有畸变的八面体环境中配位，赤道平面位置有四个水配体，轴向位置有两个1,3 - 二甲基 - 2,6 - 二氧代 - 3,7 - 二氢 - 1H - 嘌呤 - 9 - 负离子配体，通过咪唑环N原子配位。分子内O—H⋯O氢键形成一个S(7)图集 motif。在晶体中，O—H⋯O和O—H⋯N氢键连接配合物分子，形成一个包含R 4 (2)(8)和R 2 (2)(18)图集 motif的三维网络。
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