Crystal structure of aquabis(acrylato-O,O')(1,10-phenanthroline-N,N')-cadmium(II),Cd(H2O)(C3H3O2)2(C12H10N2)

Abstract

Ci8HisCdN205, monoclinic, P12\/nl (no. 14), a = 9.9973(5) k,b = 9.0433(4) Ä, c = 19.4849(8) Ä, β = 101.235(2)°, V= 1727.9 Ä 3 , Ζ = 4, Rgi(F) = 0.025, wR tef (F 2 ) = 0.065, T= 273 K. Source of materialThe title complex was prepared analogously to the synthesis of [CdCl(C 3 H302)(Ci2HioN 2 )2] except for the pH of this solution controlled in the range of 8-9 [1]. Freshly prepared precipitate Cd(OH)2, which was obtained from 1.0 ml (1.0 M) NaOH to a * Correspondence author (e-mail: nzy8092@163.com) stirred aqueous solution of CdCh · 6H2O (0.269 g, 1.0 mmol) in 5 ml H2O, was added to a stirred aqueous solution of 1,10-phenanthroline monohydrate (0.198 g, 1.0 mmol) and acrylic acid (0.144 g, 2.0 mmol) in 20 ml IfeO/ethanol (1:1, v/v). The mixture was further stirred for ca. 30 min at room temperature, and the pH of the mixture solution was controlled in the range of 8-9 with 1Μ NaOH solution. The mixture then was further stirred for another 2 h and filtered off and the resultant filtrate was allowed to stand by slow evaporation at room temperature. The colorless blocklike crystals were obtained 30 days later (yield 80 % based on the Cd(OH) 2 input). DiscnssionThe title structure consists of Cd(H20XC3H30 2 )2(Ci2HioN2) complex molecules, where the seven-coordinated Cd atom adopts a distorted monocapped octahedral environment formed by two nitrogen atoms of an 1,10-phenanthroline ligand and five oxygen atoms from one aqua ligand and two acrylato anion groups with the acrylato 02 atom residing at the cap site and the axial apical positions occupied by one aromatic pyridyl atoms (N2) and one acrylato Ο atom (Ol) (figure, top), Tlie equatorial plane sites are defined by one aromatic pyridyl Ν atom (Nl), one aqua ligand (05) and two acrylato Ο atoms (03,04) with the pyridyl Nl atom shifted from the basal plane of 0.9999(3) A. The Cd-N2 length (2.3706(2) Ä) is slightly longer than the Cd-Nl length (2.3676(2) Ä), but shorter than those found in the compound of [CdCl(C3H302)( Ci2HioN 2 )2], where the Cd-Ν distances fall in the range of2.3984(2) Ä-2.5619(2) Ä [1]. The acrylato anion ligands adopt bidentate chelating mode. The Cd-02 distance (2.5753(2) Ä) is significantly longer than other Cd-Ο bond distances (<f(Cd-O) = 2.298(2) Ä -2.4555(2) Ä), indicating that Cd-02 bonding interaction is weaker than other Cd-Ο bonding interactions. The mean Cd-Ο distance (2.4248(9) Ä) is slightly longer than those in the previously reported bidentate chelate carboxylato compound [2].Within the crystal structure, the title compound molecules are held together by weak intermolecular nonclassical C-H-Ο hydrogen-bonding interactions and π-π interactions. The coordinated water molecules functioning as hydrogen-bond donors contribute Η atoms to the acrylato Ο atoms (02 1 ,03 u ) of neighboring complex molecules to form intermolecular hydrogen bonds (rf(05-02') = 2.730 Ä, ^05-115^02' = 163.0°; </(05-03") = 2.731 Ä, Z.05-H5a-03" = 152.0°) (symmetry codes: (i) 'Α-χ,-Ά+γ,'Λ-ζ; (ii) 3 Λ-χ,Ά+γ, 3 Α-ζ). Along the [010] direction, the compl...