Co-existing Intermolecular Halogen Bonding and Hydrogen Bonding in the Compound Trans-5,10-bis(1-bromodifluoro- acetyl-1-ethoxycarbonyl-methylidene)thianthrene  

作　　者：祝诗发 朱士正 廖远熹 黄超峰 黎占亭 

机构地区：[1]Key Laboratory of Organofluorine Chemistry, Shanghai Institute of Organic Chemistry,Chinese Academy of Sci-ences,Shanghai 200032,China

出　　处：《Chinese Journal of Chemistry》2004年第9期896-898,共3页中国化学（英文版）

基　　金：the National Natural Science Foundation of China (Nos. 20372077 and 90206005).

摘　　要：Trans-5,10-bis(1-bromodifluoroacetyl-1-ethoxycarbonyl-methylidene)thianthrene (1b) was prepared from the reaction of BrCF2COC(N2)CO2Et with thianthrene. X-ray single crystal diffraction analysis showed that the inter-molecular halogen bonding and hydrogen bonding coexisted in this compound. The bromine atom acted as an elec-tron acceptor in the halogen bond and an electron donor in the hydrogen bond. It is the first example that the bro-mine atom acted as such a dual role in the hydrogen and halogen bond.Trans-5,10-bis(1-bromodifluoroacetyl-1-ethoxycarbonyl-methylidene)thianthrene (1b) was prepared from the reaction of BrCF2COC(N2)CO2Et with thianthrene. X-ray single crystal diffraction analysis showed that the inter-molecular halogen bonding and hydrogen bonding coexisted in this compound. The bromine atom acted as an elec-tron acceptor in the halogen bond and an electron donor in the hydrogen bond. It is the first example that the bro-mine atom acted as such a dual role in the hydrogen and halogen bond.

关 键 词：halogen bond hydrogen bond sulfur ylide X-ray diffraction study 

分 类 号：O621[理学—有机化学]