Fun Hoong-Kun, Goh Jia Hao, Kalluraya B
Acta Crystallogr Sect E Struct Rep Online. 2010 Nov 20;66(Pt 12):o3252. doi: 10.1107/S1600536810047422.
IN THE TITLE SYDNONE COMPOUND [SYSTEMATIC NAME: 3-(4-meth-oxy-phen-yl)-1,2,3-oxadiazol-3-ium-5-olate], C(9)H(8)N(2)O(3), the essentially planar oxadiazole ring [maximum deviation = 0.005 (1) Å] is inclined at a dihedral angle of 30.32 (8)° with respect to the benzene ring. In the crystal, adjacent mol-ecules are inter-connected by inter-molecular C-H⋯O hydrogen bonds into sheets lying parallel to (100). Weak inter-molecular π-π inter-actions [centroid-centroid distance = 3.5812 (8) Å] further stabilize the crystal packing.
在标题中的 sydnone 化合物 [系统名称:3-(4-甲氧基苯基)-1,2,3-恶二唑鎓-5-醇盐],C(9)H(8)N(2)O(3) 中,基本呈平面的恶二唑环 [最大偏差 = 0.005 (1) Å] 相对于苯环以 30.32 (8)° 的二面角倾斜。在晶体中,相邻分子通过分子间 C-H⋯O 氢键相互连接形成平行于 (100) 的片层。弱的分子间 π-π 相互作用 [质心-质心距离 = 3.5812 (8) Å] 进一步稳定了晶体堆积。