Moreno-Fuquen Rodolfo, Hernandez Geraldine, Ellena Javier, De Simone Carlos A, Tenorio Juan C
Departamento de Química - Facultad de Ciencias, Universidad del Valle, Apartado 25360, Santiago de Cali, Colombia.
Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 27;69(Pt 5):o793. doi: 10.1107/S1600536813010830. Print 2013 May 1.
In the title compound, C14H8BrNO5, the benzene rings form a dihedral angle of 62.90 (7)°. The central ester group is twisted away from the nitro-substituted and bromo-substituted rings by 71.67 (7) and 8.78 (15)°, respectively. The nitro group forms a dihedral angle of 7.77 (16)° with the benzene ring to which it is attached. In the crystal, mol-ecules are linked by weak C-H⋯O inter-actions, forming C(12) chains which run along [001]. Halogen-halogen inter-actions [Br⋯Br = 3.523 (3) Å] within the chains stabilized by C-H⋯O inter-actions are observed.
在标题化合物C₁₄H₈BrNO₅中，苯环形成的二面角为62.90 (7)°。中心酯基分别与硝基取代环和溴取代环扭转71.67 (7)°和8.78 (15)°。硝基与其所连接的苯环形成的二面角为7.77 (16)°。在晶体中，分子通过弱C-H⋯O相互作用相连，形成沿[001]方向延伸的C(12)链。观察到链内通过C-H⋯O相互作用稳定的卤-卤相互作用[Br⋯Br = 3.523 (3) Å]。
