1-（苯并三唑-1-基）-2-溴乙酮
1-(Benzotriazol-1-yl)-2-bromoethanone.
作者信息
Asiri Abdullah M, Abo-Dya Nader E, Arshad Muhammad Nadeem, Shafiq Muhammad
机构信息
Chemistry Department, Faculty of Science, King Abdulaziz University, PO Box 80203, Jeddah 21589, Saudi Arabia ; Center of Excellence for Advanced Materials Research (CEAMR), Faculty of Science, King Abdulaziz University, PO Box 80203, Jeddah 21589, Saudi Arabia.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2012 Nov 1;68(Pt 11):o3179. doi: 10.1107/S1600536812042900. Epub 2012 Oct 20.
In the title compound C(8)H(6)BrN(3)O, the benzotriazole ring is essentially planar (r.m.s. deviation = 0.0034 Å) and the bromo-acetyl unit is twisted at a dihedral angle of 15.24 (16)° with respect to it. In the crystal, pairs of C-H⋯O hydrogen bondings result in the formation of inversion dimers, forming R(2) (2)(12) rings, which are connected by further C-H⋯O inter-actions into chains extending along the b-axis direction.
在标题化合物C₈H₆BrN₃O中，苯并三唑环基本呈平面状（均方根偏差 = 0.0034 Å），溴乙酰基单元相对于它以15.24 (16)°的二面角扭曲。在晶体中，C—H⋯O氢键对导致形成反演二聚体，形成R₂²(12)环，这些环通过进一步的C—H⋯O相互作用连接成沿b轴方向延伸的链。
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