CAJ | 학술논문

以大豆苷元为先导化合物,合成了水溶性异黄酮衍生物--4′,7-二甲氧基异黄酮磺酸钴{[Co(H_2O)_6](C_(17)H_(13)O_4SO_3)_2·8H_2O(1)},其结构经~1H NMR,IR,元素分析和X-射线单晶衍射表征.1属单斜晶系,空间群P21/c,晶胞参数a=18.697(4)(A),b=7.358(2)(A),c=18.368(4)(A),β=116.223(1)°,Z=2.1的Co(Ⅱ)位于对称中心并被6分子水所配位;[Co(H_2O)_6]~(2+),[C_(17)H_(13)O_4SO_3]~- 和H_2O之间存在多种氢键,形成晶体结构中的亲水区.异黄酮骨架间反平行排列,存在着π┈π堆积作用,构成晶体结构中的疏水区.磺酸根是连接亲水区和疏水区的桥梁.氢键、π┈π堆积以及阴阳离子之间的静电引力作用共同将1组装成具有三维网络结构的超分子.
이대두감원위선도화합물,합성료수용성이황동연생물--4′,7-이갑양기이황동광산고{[Co(H_2O)_6](C_(17)H_(13)O_4SO_3)_2·8H_2O(1)},기결구경~1H NMR,IR,원소분석화X-사선단정연사표정.1속단사정계,공간군P21/c,정포삼수a=18.697(4)(A),b=7.358(2)(A),c=18.368(4)(A),β=116.223(1)°,Z=2.1적Co(Ⅱ)위우대칭중심병피6분자수소배위;[Co(H_2O)_6]~(2+),[C_(17)H_(13)O_4SO_3]~- 화H_2O지간존재다충경건,형성정체결구중적친수구.이황동골가간반평행배렬,존재착π┈π퇴적작용,구성정체결구중적소수구.광산근시련접친수구화소수구적교량.경건、π┈π퇴적이급음양리자지간적정전인력작용공동장1조장성구유삼유망락결구적초분자.
A water-soluble isoflavone derivative, cobalt(Ⅱ) 4′,7-dimethoxylisoflavone sulfonate{[Co(H_2O)_6](C_(17)H_(13)O_4SO_3)_2·8H_2O(1)} was synthesized starting from daidzein. The structure was characterized by ~1H NMR, IR, elemental analysis and single-crystal X-ray diffraction analysis. 1 belongs to monoclinic, space group P2_1/c with a=18.697(4)(A), b=7.358(2) (A), c=18.368(4)(A), β=116.223(1)°, Z=2. Co(Ⅱ) is located on an symmetry centre and is coordinated by six water molecules in 1. several kinds of hydrogen bonds form among [Co(H_2O)_6]~(2+), [C_(17)H_(13)O_4SO_3]~- and H_2O , forming hydrophilic regions. The isoflavone skeletons are arranged in an anti-parallel fashion, and π┈π stacking interactions exist among them. They form lipophilic regions. The sulfo-group is an important bridge as a structural link between the hydrophilic region and the lipophilic region. The hydrogen bonds, π┈π stacking interactions and the electrostatic interactions between [Co(H_2O)_6]~(2+) and [C_(17)H_(13)O_4SO_3]- result in supramolecule of 1 with a three-dimensional structure.