Shi Lin-Fang, Li Yan-Wei, Si Zhen-Jun, Guan Ying, Cao Hua-Ru
Acta Crystallogr Sect E Struct Rep Online. 2010 Dec 4;67(Pt 1):m9-m10. doi: 10.1107/S160053681004969X.
In the title compound, [ReBr(C(14)H(11)N(3)O)(CO)(3)]·CH(2)Cl(2), the coordination geometry of the Re(I) atom is a distorted ReC(3)N(2)Br octa-hedron with the carbonyl C atoms in a fac arrangement. Within the 2-(pyridin-2-yl)-5-p-tolyl-1,3,4-oxadiazole ligand, the dihedral angles between the oxadiazole ring and the pyridine (py) and benzene (bz) rings are 1.7 (2) and 7.1 (2)°, respectively, and the dihedral angle between the py and bz rings is 5.5 (2)°. In the crystal, aromatic π-π stacking between the oxadiazole rings of adjacent mol-ecules [centroid-centroid separation = 3.465 (3) Å] is seen.
在标题化合物[ReBr(C₁₄H₁₁N₃O)(CO)₃]·CH₂Cl₂中，Re(I)原子的配位几何构型为畸变的ReC₃N₂Br八面体，羰基C原子呈面式排列。在2-(吡啶-2-基)-5-对甲苯基-1,3,4-恶二唑配体中，恶二唑环与吡啶（py）环和苯（bz）环之间的二面角分别为1.7 (2)°和7.1 (2)°，py环和bz环之间的二面角为5.5 (2)°。在晶体中，可以看到相邻分子的恶二唑环之间存在芳香π-π堆积作用[质心-质心间距 = 3.465 (3) Å]。
