DFT and single crystal analysis of the pyrimethamine-based novel co-crystal salt: 2,4-diamino-5-(4-chloro-phenyl)-6-ethylpyrimidin-1-ium:4-hydroxybenzoate:methanol:hydrate (1:1:1:1) (DEHMH)
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2019.127041
Abstract: Abstract The present work is related to the synthesis, single crystal analysis, and computational investigation of pyrimethamine co-crystal salt with 4-hydroxybenzoic acid in methanol. The study shows that hydrogen bonding interactions are responsible for the… read more here.
Keywords: pyrimethamine; single crystal; crystal salt; crystal ... See more keywords
Synthesis, Crystal Analysis, and Physical Properties of Double [6]helicene-Containing Heteroarenes with Circularly Polarized Luminescence.
Sign Up to like & getrecommendations! Published in 2022 at "Organic letters"
DOI: 10.1021/acs.orglett.2c03786
Abstract: Two novel helical heteronanographenes bearing a [6]helicene unit (3a and 5a) have been synthesized, and their molecular structures are unambiguously determined via single-crystal X-ray diffraction analyses. Density functional theory calculations suggest that the as-prepared compounds… read more here.
Keywords: synthesis crystal; properties double; physical properties; helicene ... See more keywords