Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 524, Issue -, Pages 159-167Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/S0022-2860(99)00460-3
Keywords
X-ray structure; CSD; HOMA index; aromaticity of heterorings
Categories
Ask authors/readers for more resources
Crystal structures of four bisubstituted 1,3,4-thiadiazole derivatives were determined. Detailed description of the five-membered heteroring geometry is enabled thorough analysis of ring aromaticity. For this purpose the HOMA index was used as a quantitative measure of aromaticity. The calculated HOMA indices evidenced the role of substituents. In particular, increase in the substituent electrophilicity brings about increase in aromaticity. (C) 2000 Elsevier Science B.V. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available