Time for quartet: the stable 3 : 1 cocrystal formulation of FTDO and BTF – a high-energy-density material
共晶
四嗪
材料科学
化学
分子
有机化学
氢键
作者
Victor P. Zelenov,Nikita М. Baraboshkin,Dmitry V. Khakimov,Nikita V. Muravyev,Dmitry B. Meerov,I. A. Troyan,T. S. Pivina,A. V. Dzyabchenko,Ivan V. Fedyanin
出处
期刊:CrystEngComm [Royal Society of Chemistry] 日期:2020-01-01卷期号:22 (29): 4823-4832被引量:25
标识
DOI:10.1039/d0ce00639d
摘要
A computer simulation of cocrystal structures of [1,2,5]oxadiazolo[3,4-e][1,2,3,4]tetrazine 4,6-dioxide (FTDO) with benzotrifuroxan (BTF) in ratios of (3–1 : 1) was performed. Theoretically and experimentally was shown: a (3 : 1) cocrystal is formed.