Co-existing Intermolecular Halogen Bonding and Hydrogen Bonding in the Compound Trans-5,10-bis(1-bro

• 作 者: 祝诗发 朱士正 廖远熹 黄超峰 黎占亭
• 机 构: Key Laboratory of Organofluorine Chemistry, Shanghai Institute of Organic Chemistry,Chinese Academy
• 出 处: Chinese Journal of Chemistry
• 发表日期: 2004年09期
• 关键词: acetyl Hydrogen bonding carbonyl moiety supramolecular bromo tetra assemble conj

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.