Complex 1 forms a 1D chain by O—H from free-water, while the 2D layer structure is formed by C—H O hydrogen bonds through stacking interaction of the neighbouring layers. <...> O hydrogen bonds the L ligand of adjacent chains. <...> These compounds further result in a 3D network structure by the intermolecular Keywords: Zn(II) complex, 2-mercaptonicotinic acid, crystal structure, coordination. <...> Coordination compounds have received more and more attention [ 2—4] because of their perfect framework and admirable properties such as catalysis, anticancer activity, etc. [ 5—9]. <...> The molecular engineering of transition-metal-based coordination compounds with an extended network is a rapidly growing area of research because of their functional properties and potential applications [ 10 ]. <...> Compared to the vast literature on the synthesis of coordination polymers and metal-organic frameworks (MOFs) based on N- and O-coordinating ligands [ 13, 14 ], reports focusing on complexes of bifunction S- and O-donors are rather scarce [ 15 ]. <...> A functionalized heterocyclic ligand of 2-mercaptonicotinic acid with potential oxygen, nitrogen, and sulfur donors has recently attracted our attention to the construction of translation-metal organothiolate coordination polymer. <...> Our laboratory has reported a series of transition metal compounds with the phenanthroline ligand partially embedded in the adjacent DNA base pairs, making the conformation of DNA change [ 17, 18 ]. <...> Zinc is one of the most important metals in biological systems, which is a cation of special relevance. <...> Herein, in this paper we selected L, phen as a ligand and transition metal Zn(II) to synthesize the [Zn2(phen)2]L43H2O(1) complex with two coordination modes of L and phen ligands, intramolecular weak interaction were observed. stacking, and the intermolecular hydrogen bond Experimental. <...> The crystal determination was recorded on a Bruker Smart 1000 CCD X-ray single crystal diffractometer. <...> The structure analysis was performed on a computer with the SHELX-97 program package. <...> Along with stirring, the pH value was adjusted to 7.53 using a HCl solution (1 M), and then the mixture continuously reacted at room temperature. <...> It was mixed constantly for yet another 4 h; the final pH value of the solution was 7.38, and then <...>