Kubono Koji, Tanaka Ryoichi, Kashiwagi Yukiyasu, Tani Keita, Yokoi Kunihiko
Osaka Kyoiku University, 4-698-1 Asahigaoka, Kashiwara, Osaka 582-8582, Japan.
Osaka Research Institute of Industrial Science and Technology, 1-6-50 Morinomiya, Joto-ku, Osaka 536-8553, Japan.
Acta Crystallogr E Crystallogr Commun. 2023 Jul 14;79(Pt 8):726-729. doi: 10.1107/S2056989023005959. eCollection 2023 Jul 1.
In the title compound, [Na(CHNOS)(CHCN)], the Na atom adopts a distorted square-pyramidal coordination geometry, formed by one N and one O atom of the qunolinol moiety in the ligand, two O atoms of sulfonate moieties of two adjacent ligands and the N atom of the coordinated aceto-nitrile solvent. The Na atom is located well above the mean basal plane of the square-based pyramid. The apical position is occupied by a sulfonate O atom of a neighboring ligand. Three N atoms of the bis-(pyridin-2-ylmeth-yl)amine moiety in the ligand are not coordinated by the sodium atom. The mol-ecule forms an intra-molecular bifurcated O-H⋯[N(tertiary amine),N(pyridine)] hydrogen bond, generating (6) and (5) rings. In the crystal, four mol-ecules are linked by four Na-O(sulfonato) bridged coordination bonds, forming a supra-molecular centrosymmetric tetra-mer unit comprising an eight-membered ring, and generating a two-dimensional network sheet. The mol-ecules of different sheets form inter-molecular C-H⋯O hydrogen bonds, and thereby a three-dimensional network structure.
在标题化合物[Na(CHNOS)(CHCN)]中，Na原子采用扭曲的四方锥配位几何构型，由配体中喹啉醇部分的一个N原子和一个O原子、两个相邻配体磺酸盐部分的两个O原子以及配位乙腈溶剂的N原子形成。Na原子位于四方锥平均底面上方较远位置。顶端位置被相邻配体的一个磺酸盐O原子占据。配体中双（吡啶 - 2 - 基甲基）胺部分的三个N原子未与钠原子配位。分子形成分子内分叉的O - H⋯[N（叔胺），N（吡啶）]氢键，生成（6）和（5）环。在晶体中，四个分子通过四个Na - O（磺酸盐）桥连配位键相连，形成一个包含八元环的超分子中心对称四聚体单元，并生成二维网络片。不同片层的分子形成分子间C - H⋯O氢键，从而形成三维网络结构。
