A study of the crystal structure of chloro-and bromo-substituted acetylacetonates of boron difluoride

作者：Svistunova I V^*; Gerasimenko A V; Korochentsev V V; Shapkin N P; Vovna V I

来源：Journal of Structural Chemistry, 2012, 53(6): 1105-1110.

DOI：10.1134/S0022476612060133

• beta-diketonates of boron difluoride
• chloroacetylacetonate
• bromoacetylacetonate
• crystal structure
• charge distribution

The molecular and crystal structure of halogen-substituted acetylacetonates of boron difluoride 2,2-difluoro-5-chloro-4,6-dimethyl-1,3,2-dioxaborin (1) and 2,2-difluoro-5-bromo-4,6-dimethyl-1,3,2-dioxaborin (2) is determined. In both compounds, a noticeable intermolecular interaction between the fluorine and carbon atoms of the chelate ring and between the fluorine atoms and substituents exists. In order to explain the revealed patterns of molecular packing, the charge distribution in the studied chelates is calculated.

• 出版日期2012-11