Alvarez Thon Luis, Bustos Carlos, Diaz-Marín Fernando, Garland Maria Teresa, Baggio Ricardo
Departamento de Ciencias Físicas, Universidad Andrés Bello, República 220, Santiago de Chile, Chile.
Acta Crystallogr C. 2013 Jan;69(Pt 1):101-4. doi: 10.1107/S0108270112048573. Epub 2012 Dec 18.
The title compound, C(17)H(10)F(5)N(5)O(2), is described and compared with its 4-nitrophenyl isomer [Bustos, Sánchez, Schott, Alvarez-Thon & Fuentealba (2007). Acta Cryst. E63, o1138-o1139]. The title molecule presents its nitro group split into two rotationally disordered components, which in conjunction with the rotation of the unclamped' rings constitute the main molecular differences. Packing is directed by a head-to-tail type
I' C-F...F-C interaction, generating double-chain strips running along [100]. These substructures are interlinked by a variety of weak F...F, O...F, F...π and O...π interactions.
标题化合物C(17)H(10)F(5)N(5)O(2)已被描述,并与其4-硝基苯基异构体进行了比较[布斯托斯、桑切斯、肖特、阿尔瓦雷斯-托恩和富恩特阿尔巴(2007年)。《晶体学报》E63,o1138 - o1139]。标题分子的硝基分裂为两个旋转无序的组分,这与“未夹紧”环的旋转一起构成了主要的分子差异。堆积由头对头型“I”C - F...F - C相互作用引导,形成沿[100]方向延伸的双链带。这些子结构通过各种弱的F...F、O...F、F...π和O...π相互作用相互连接。