The two complexes [Cu(C5H2N2O4)(H2O)3]·2H2O (1) and [Ni(C5H2N2O4)(H2O)4]·H2O (2) were synthesized by self assembly reactions of Cu(NO3)2·3H2O or Ni(CH3COO)2·4H2O with orotic acid (2,6 dioxo 1,2,3,6 tetrahydro 4 pyrimidinecarboxylic acid), respectively. Their crystal structures were determined by single crystal X ray diffraction analyses. Crystallographic data for complex 1: C5H8N2CuO7·2H2O, Mr=307.7, monoclinic P21/n, a=0.57710(1)nm, b=1.76863(6)nm, c=1.09955(4)nm, β=98.600(2)°, V=1.109.63(6)nm3, Z=4 , Dc=1.842g·cm-3, μ(MoKα)=2.010mm-1, F(000)=628, R=0.0436, wR=0.1015, And for complex 2: C5H10N2NiO8·H2O, Mr=302.88, orthorhombic Pbcn, a=2.0763(1)nm, b=1.69355(9)nm, c=0.73478(4)nm, V=2.5837(2)nm3, Z=8, Dc=1.557g·cm-3, μ(MoKα)=1.538 mm-1, F(000)=1248, R=0.0545, wR=0.1305. The X ray analyses revealed that the Cu? and Ni? atoms are both coordinated by carboxylic O atom and contiguous N atom of the pyrimidine ring. In complex 1 the Cu? atom has a slightly distorted square pyramid coordination environment with additional three water molecules, while in complex 2 the Ni? atom adopts a slightly distorted octahedral geometry with additional four water molecules. The three dimensional frameworks of the two complexes are formed by intermolecular hydrogen bonding interactions. CCDC: 1, 204881; 2, 204882.
GThe title compound was synthesized by reaction of Cu(ClO4)2, picolinic acid and carbamide in C2H5OH/CH3CN solution, and characterized by single crystal X ray diffraction. It crystallizes in the orthorhombic system, space group Pbcawith a=14.0481(8), b=9.0130(5), c=18.626(1)?, V=2358.3(2)?3, Z=4, Dx=1.771g·cm-3, μ=1.235mm-1 and F(000)=1276. The final R factor is 0.0440 for 1434 observed reflections. The X ray analysis revealed that the copper?atom iscoordinated by two picolinic ligands in the equatorial plane, while the two oxygen atoms of perchlorate occupy the axial positions of octahedron with lengthened Cu O distances, resulting in a 4+2 elongated octahedral environment. In the compound, there also exist two protonated carbamide cations for charge balance. CCDC: 195354.
