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Synthesis, Crystal Structure, Hirshfeld Surface Analysis, Energy Framework Calculations, and Halogen Bonding Investigation of Benzene-1,3,5-triyltris((4-chlorophenyl)methanone).
- Source :
- Crystals (2073-4352); Jan2024, Vol. 14 Issue 1, p17, 20p
- Publication Year :
- 2024
-
Abstract
- We synthesized 1,3,5-triyltris((4-chlorophenyl)methanone) by a condensation reaction in glacial acetic acid and studied utilizing spectroscopic and analytical techniques such as ultraviolet, infrared, mass, elemental, and nuclear magnetic resonance (NMR) spectroscopy, as well as X-ray crystallography. The effect of chlorine substitution in the 1,3,5-triaroylbenzene compound in solid-state arrangements was studied. Halogen bonds are detected in the solid-state structures of the titled compound. A dimeric structure is formed due to the presence of two C-Cl···Cl Type I halogen interactions. Additionally, a delocalized Type III C-Cl···π interaction were reported. C-Cl···H hydrogen bonding and π···π interaction were also reported. Hirshfeld surface analysis, 3D fingerprint, the energy framework, and the electro-optic potential were used to evaluate such interactions. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 20734352
- Volume :
- 14
- Issue :
- 1
- Database :
- Complementary Index
- Journal :
- Crystals (2073-4352)
- Publication Type :
- Academic Journal
- Accession number :
- 175050408
- Full Text :
- https://doi.org/10.3390/cryst14010017