含乳清酸配体的两个单核配合物的合成与晶体结构(英文)

Syntheses and Crystal Structures of Two Mononuclear Complexes with Orotic Acid

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.

The two complexes [Cu(C5H2N2O4) (H2O)3] . 2H(2)O (1) and [Ni(C5H2N2O4) (H2O)(4)] . H2O (2) were synthesized by self-assembly reactions of Cu(NO3)(2) . 3H(2)O or Ni(CH3COO)(2) . 4H(2)O 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 . 2H(2)O, M-r = 307.7, monoclinic P2(1)/n, a = 0.57710(1) nm, b = 1.76863 (6) nm, c = 1.09955 (4) nm, beta = 98.600(2)degrees, V = 1. 109. 63 (6) nm(3), Z = 4, D-c = 1. 842g . cm(-3), mu(Mo Kalpha) = 2.010mm(-1), F(000) = 628, R = 0.0436, omegaR = 0.1015, And for complex 2: C5H10N2NiO8 . H2O, M-r = 302. 88, orthorhombic Pbcn, a = 2. 0763 (1) nm, b = 1. 69355 (9) run, c = 0.73478(4) nm, V = 2.5837(2) nm(3), Z = 8, D-e = 1.557g . cm(-3), mu(MoKalpha) = 1.538 mm(-1), F(000) = 1248, R = 0.0545, omegaR = 0.1305. The X-ray analyses revealed that the Cu(II) and Ni(II) atoms are both coordinated by carboxylic O atom and contiguous N atom of the pyrimidine ring. In complex 1 the Cu (II) atom has a slightly distorted square pyramid coordination environment with additional three water molecules, while in complex 2 the Ni (II) 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.