Fun Hoong-Kun, Hemamalini Madhukar, Kalluraya Balakrishna
Acta Crystallogr Sect E Struct Rep Online. 2010 Nov 6;66(Pt 12):o3094. doi: 10.1107/S1600536810044776.
IN THE TITLE COMPOUND [SYSTEMATIC NAME: 2,3-dibromo-3-(2-bromo-phen-yl)-1-(5-oxido-3-phenyl-1,2,3-oxadiazol-3-ium-4-yl)propan-1-one], C(17)H(11)Br(3)N(2)O(3), the oxadiazole ring is essentially planar, with a maximum deviation of 0.003 (1) Å. The -CHBr-CHBr- chain and bromo-phenyl ring are disordered over two sets of sites with a refined occupany ratio of 0.756 (5):0.244 (5). The central oxadiazole ring makes dihedral angles of 54.07 (11) and 13.76 (18)° with the attached phenyl and the major component of the bromo-substituted benzene rings, respectively. The dihedral angle between the major and minor components of the bromo-phenyl rings is 13.4 (5)°. In the crystal structure, mol-ecules are connected by C-H⋯O hydrogen bonds, forming [010] ribbons.
在标题化合物[系统命名：2,3-二溴-3-(2-溴苯基)-1-(5-氧化-3-苯基-1,2,3-恶二唑-3-鎓-4-基)丙-1-酮]，C(17)H(11)Br(3)N(2)O(3)中，恶二唑环基本呈平面状，最大偏差为0.003 (1) Å。-CHBr-CHBr-链和溴苯基环在两组位置上无序，精制占有率比为0.756 (5):0.244 (5)。中心恶二唑环与相连的苯基以及溴代苯环的主要组分分别形成54.07 (11)和13.76 (18)°的二面角。溴苯基环的主要和次要组分之间的二面角为13.4 (5)°。在晶体结构中，分子通过C-H⋯O氢键相连，形成[010]带状结构。
