基于2,5-双(4-吡啶基)-1,3,4-(口恶)二唑配体的钴高氯酸盐超分子配合物的一种新晶型研究

在丁二酸和三乙胺存在下,高氯酸钴与2,5-双(4-吡啶基)-1,3,4-(口恶)二唑 (4-bpo) 反应生成配合物Co(4-bpo)2(H2O)4](4-bpo)2(ClO4)2(H2O)6 (1) 的一种新晶型:单斜晶系,P2/n空间群,晶胞参数为a=1.909 2(2) nm, b=0.699 7(8) nm, c=2.271 1(3) nm, β=98.462(2)o, V=3.000 6(6) nm3, Z=2. 配位单元中的八面体钴离子处于结晶学反演中心,配位原子分别来自于赤道平面上的4个水分子和2个轴向吡啶氮原子. 晶格水分子、4-bpo和高氯酸根位于单核配位阳离子Co(4-bpo)2(H2O)4]2+的周围,并通过多种O-H...O及O-H...N氢键作用连接形成新颖的主-客体包合结构,其中游离的阴离子处于所形成的二维氢键层内和层间的空隙中.

A New Polymorph of the CoII Perchlorate Supramolecular Complex with 2,5-Bis(4-pyridyl)-1,3,4-oxadiazole

The reaction of 2,5-bis(4-pyridyl)-1,3,4-oxadiazole (4-bpo) with Co(ClO4)2 in the presence of succinic acid and triethylamine affords a new polymorph of Co(4-bpo)2(H2O)4](4-bpo)2(ClO4)2(H2O)6 (1). It crystallizes in monoclinic system, space group P2/n with a=1.909 2(2) nm, b=0.699 7(8) nm, c=2.271 1(3) nm, β=98.462(2)o, V=3.000 6(6) nm3, Z=2. In the discrete coordinated entity, the octahedral CoII is located at the inversion center, consisting of four equatorial water molecules and two axial pyridyl N donors from 4-bpo. The monomeric Co(4-bpo)2(H2O)4]2+ cations are surrounded by the lattice water, 4-bpo and perchlorate, which are interlinked by multiple O-H...O and O-H...N interactions to show a novel host-guest inclusion with the counter anions lying within and between the 2-D hydrogen-bonded arrays.