التفاصيل البيبلوغرافية
| العنوان: |
Synthesis, Crystal Structure, Hirshfeld Surface Analysis, Energy Framework Calculations, and Halogen Bonding Investigation of Benzene-1,3,5-triyltris((4-chlorophenyl)methanone). |
| المؤلفون: |
Hassanain, Hawazen M., Al-Sharif, Samah, Al-Ghamdi, Huda A., Nahari, Layla M., Al-Sulami, Ahlam I., Mousally, Sameera M., Al-Zaydi, Khadijah M. |
| المصدر: |
Crystals (2073-4352); Jan2024, Vol. 14 Issue 1, p17, 20p |
| مصطلحات موضوعية: |
SURFACE analysis, NUCLEAR magnetic resonance spectroscopy, CRYSTAL structure, HALOGENS, NUCLEAR magnetic resonance, X-ray crystallography |
| مستخلص: |
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] |
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| قاعدة البيانات: |
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