Akinboye Emmanuel S, Butcher Ray J, Brandy Yakini, Adesiyun Tolulope A, Bakare Oladapo
Department of Chemistry, Howard University, 525 College Street NW, Washington, DC 20059, USA.
Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 6;65(Pt 1):o24. doi: 10.1107/S1600536808039214.
The title compound, C(24)H(12)BrCl(2)NO(4), was synthesized from 2-amino-3-bromo-1,4-naphthoquinone and 2-chloro-benzoyl chloride. The crystal structure shows that each of the chloro-phenyl rings is inclined at about 60° to the naphthoquinone ring system. The two chloro-phenyl rings adopt a conformation that ensures that chlorine substituents are anti so as to reduce electronic repulsion. An examination of the packing shows close O⋯Br and Cl⋯Cl contacts of 2.947 (2) and 3.346 (1) Å, respectively. In addition, the molecules are linked by weak intermolecular C-H⋯O and C-H⋯Cl interactions.
标题化合物C(24)H(12)BrCl(2)NO(4)由2-氨基-3-溴-1,4-萘醌和2-氯苯甲酰氯合成。晶体结构表明,每个氯苯环与萘醌环系统的夹角约为60°。两个氯苯环采取一种构象,以确保氯取代基呈反式排列,从而减少电子排斥。对堆积情况的研究表明,存在紧密的O⋯Br和Cl⋯Cl接触,距离分别为2.947 (2) Å和3.346 (1) Å。此外,分子通过弱的分子间C-H⋯O和C-H⋯Cl相互作用相连。