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Synthesis and Crystal Structure of [Ni(C_5H_2N_2O_4)(2,2''''bipy)(H_2O)_2]·H_2O
引用本文:LI Xing CAO Rong② SUN Dao-Feng HONG Mao-Chun② (State Key Laboratory of Structural Chemistry,Fujian Institute of Research on the Structure of Matter,Chinese Academy of Sciences,Fuzhou 350002,China). Synthesis and Crystal Structure of [Ni(C_5H_2N_2O_4)(2,2''''bipy)(H_2O)_2]·H_2O[J]. 结构化学, 2002, 0(4)
作者姓名:LI Xing CAO Rong② SUN Dao-Feng HONG Mao-Chun② (State Key Laboratory of Structural Chemistry  Fujian Institute of Research on the Structure of Matter  Chinese Academy of Sciences  Fuzhou 350002  China)
作者单位:State Key Laboratory of Structural Chemistry,Fujian Institute of Research on the Structure of Matter,Chinese Academy of Sciences,Fuzhou 350002,China
基金项目:This project was supported by the Natural Science Foundation of China and Chinese Academy of Sciences
摘    要:1 INTRODUCTION Orotic acid (H3dtpc), an important pyrimidine derivative as the effective precursor in the biosynthesis of pyrimidine base of nucleic acids in living organisms, plays a unique role in bioinorganic and pharmaceutical. Aside from the biological interest, orotic acid is also interesting in coordination chemistry. Its ketonic and enolic tautomers along with asymmetric geometry make it to be a very good versatile polydentate ligand[1~5]. The incorporation of metals into supram…


Synthesis and Crystal Structure of [Ni(C_5H_2N_2O_4)(2,2'bipy)(H_2O)_2]·H_2O
Abstract:The crystal structure of [Ni(C5H2N2O4)(2, 2?bipy)(H2O)2]?H2O 1 has been determined by X-ray diffraction. Crystal data: triclinic system, space group P with a = 7.9424(3), b = 9.9417(3), c = 12.1867(3) ? a = 84.771(1), b = 77.375(2), g = 68.993(2)? C15H18N4O8Ni, Mr = 440.7, V = 876.16(5) 3, Z = 2, Dc = 1.672 g/cm3, F(000) = 456, m(MoKa) = 1.162 mm-1, the final R = 0.0464 and wR = 0.1055 for 3026 observed reflections with I > 2s(I). In the title compound, the nickel ion is coordinated by a nitrogen atom and an oxygen atom from the orotate ligand, two nitrogen atoms from 2, 2?bipy and two oxygen atoms from the coordinated water molecules in a distorted octahedral geometry. The presence of intermolecular hydrogen bonding and p-p stacking interaction of aromatic rings from 2, 2?bipy results in a 3D structure.
Keywords:orotic acid   crystal structure   hydrogen bonding  -stacking
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