Anomalous planar structure observed in (E)-10-(1,2-dibromoprop-1-en-1-yl)-10H-phenothiazine

作者：Umezono Satoru; Okuno Tsunehisa^*

来源：Journal of Molecular Structure, 2015, 1084: 172-176.

DOI：10.1016/j.molstruc.2014.11.066

• Crystal structure
• DFT calculation
• Ynamines
• Enamines
• Halogen bond

Both Z and E isomers of 10-(1,2-dibromoprop-1-en-1-yl)-10H-phenothiazine were given by bromine addition to 10-(prop-1-yn-1-yl)-10H-phenothiazine with little stereoselectivity. The crystal structure of the Z isomer showed a usual butterfly structure, while that of the E isomer afforded an anomalous planar structure which was usually observed in positively charged phenothiazines. The reason for the planar structure was concluded to originate in intermolecular charge transfer interaction through the C-Br center dot center dot center dot pi halogen bonds.

• 出版日期2015-3-15