首页> 外文期刊>Journal of chemical crystallography >Supramolecular cobalt(II), copper(II) and cadmium(II) complexes obtained from a proton transfer compound including pyridine-2,6-dicarboxylate and propane-1,3-diaminium ions; synthesis, characterization and crystal structure
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Supramolecular cobalt(II), copper(II) and cadmium(II) complexes obtained from a proton transfer compound including pyridine-2,6-dicarboxylate and propane-1,3-diaminium ions; synthesis, characterization and crystal structure

机译:从质子转移化合物获得的超分子钴(II),铜(II)和镉(II)配合物,所述化合物包括吡啶2,6-二羧酸盐和丙烷-1,3-二铵离子;合成,表征和晶体结构

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The three complexes (pnH(2))[Co(pydc)(2)]center dot 4H(2)O 1, (pnH(2))[Cu(pydc)(2)]center dot 4H(2)O 2, and (pnH(2))[Cd(pydc)(2)]center dot 3.5H(2)O 3 (pn: propane-1,3-diamine, pydc: pyridine-2,6-dicarboxylate) were prepared using a proton transfer compound (pnH(2))(pydc)center dot(pydcH(2))center dot 2.5H(2)O, LH (2) and corresponding metallic salts. The characterization was carried out using elemental analysis, IR and NMR spectroscopy, and single crystal X-ray diffraction. Complexes 1 and 2 crystallize in space group P (1) over bar, but complex 3 crystallizes in space group P2/c. Cell parameters of the complexes are a = 8.449(1) angstrom, b = 11.668(1) angstrom, c = 12.801(1) angstrom, alpha = 115.748(2)degrees, beta = 93.038(2)degrees, gamma = 97.867(2)degrees for 1; a = 7.973(2) angstrom, b = 16.632(2) angstrom, c = 25.280(5) angstrom, alpha = 94.178(6)degrees, beta = 95.186(6)degrees, gamma = 91.603(5)degrees for 2 and a = 20.055(1) angstrom, b = 13.8161(9) angstrom, c = 8.2418(5) angstrom, beta = 100.086(1)degrees for 3. The three crystal structures illustrate that the metal ion is six-coordinated by two pydc's. In structures of 2 and 3, it can be seen that propane-1,3-diaminium fragments have different conformations. The complexes have ion-pairing interactions, O-H center dot center dot center dot O, N-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds, pi-pi stacking as well as van der Waals forces as the main factors in formation of their supramolecular structures.
机译:三种配合物(pnH(2))[Co(pydc)(2)]中心点4H(2)O 1((pnH(2))[Cu(pydc)(2)]中心点4H(2)O 2和(pnH(2))[Cd(pydc)(2)]中心点3.5H(2)O 3(pn:丙烷-1,3-二胺,pydc:吡啶-2,6-二羧酸酯)的制备质子转移化合物(pnH(2))(pydc)中心点(pydcH(2))中心点2.5H(2)O,LH(2)和相应的金属盐。使用元素分析,IR和NMR光谱以及单晶X射线衍射进行表征。配合物1和2在bar上的空间组P(1)中结晶,但是配合物3在空间组P2 / c中结晶。配合物的细胞参数为a = 8.449(1)埃,b = 11.668(1)埃,c = 12.801(1)埃,alpha = 115.748(2)度,beta = 93.038(2)度,gamma = 97.867( 2)学位为1; a = 7.973(2)埃,b = 16.632(2)埃,c = 25.280(5)埃,alpha = 94.178(6)度,beta = 95.186(6)度,gamma = 91.603(5)度2和a = 3时a = 20.055(1)埃,b = 13.8161(9)埃,c = 8.2418(5)埃,beta = 100.086(1)度。这三个晶体结构说明金属离子与两个pydc的配位是六配位的。在2和3的结构中,可以看出丙烷-1,3-二铵片段具有不同的构象。配合物具有离子对相互作用,OH中心点中心点中心点O,NH中心点中心点中心点O和CH中心点中心点中心点O氢键,π-π堆积以及范德华力作为形成其超分子结构的主要因素。

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