Crystal structure of aqua-bis(acrylato-O,O′)(1,10-phenanthroline- N,N′)zinc(II) hydrate, Zn(C3H3O2)2(H2O)(C12H10N2) · H2O

Abstract

Source of materialA mixture solution of 18 ml H 2O/ethanol (1:1, v/v) containing ZnO (0.0814 g, 1.0 mmol), 1,10-phenanthroline monohydrate (0.198 g, 1.0 mmol) and acrylic acid (0.144 g, 2.0 mmol) was sealed in a Teflon-lined stainless steel vessel (25 ml), and the vessel was heated at 363 K for 7d, then cooled to room temperature and filtered off. The resultant filtrate was allowed to stand by slow evaporation at room temperature. The colorless block crystals generated 21 days later (yield 50 % based on the initial ZnO input). DiscussionThe title compound consists of [Zn(C 3H3O2)2(H2O)(C12H10N2)] complex molecules and lattice water molecules. The Zn atoms are each square pyramidally coordinated by two nitrogen atoms of one 1,10-phenanthroline ligand (N1, N2) and three oxygen atoms of aqua ligand (O5) and two monodentate acrylato anion ligands (O1, O3). Two crystallographically independent acrylato anions coordinate the Zn atoms in syn and anti modes, respectively. The apex is occupied by one acrylato O1 atom, and the Zn atom is shifted by 0.554 Å from the basal plane defined by atoms O3, O5, N1 and N2 (figure, top). This differs from that observed in the previously reported structure of aquaphenanthrolinebis(4-nitrobenzoato)zinc ( . The cis bond angles at the central Zn atom from the apical O1 atom fall in the range of 97.83(6)° 120.25(6)°, indicating a significant deviation from the value for a perfect square pyramidal environment. Within the crystal structure, there exist strong intra-molecular hydrogen-bonding interactions and intermolecular hydrogenbonding interactions. On the one hand, the coordinated aqua molecules donor hydrogen atoms to the uncoordinated acrylato oxygen atoms (O4) (d(O···O) = 2.631 Å, ÐOH···O = 159.9°) and lattice water molecules oxygen atoms (O1w) (d(O···O) = 2.697 Å, ÐOH···O = 173.85°) to form strong intramolecular hydrogen bonds. On the other hand, the lattice water molecules functioning as hydrogen-bond donors contribute hydrogen atoms to the uncoordinated acrylato oxygen atoms (O2