Synthesis, crystal structure, Hirshfeld surfaces, and thermal, mechanical and dielectrical properties of cholest-5-ene

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• 作者：Shamsuzzaman^a ; ^{shamsuzzaman9@gmail.com} ; Hena Khanam^a ; ¹ ; Ashraf Mashrai^a ; ¹ ; Mohd Asif^a ; Abad Ali^a ; Assem Barakat^b ; ^c ; Yahia N. Mabkhot^b
• 关键词：Cholest-5-ene ; Hirshfeld ; Mechanical ; Dielectrical
• 刊名：Journal of Taibah University for Science
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：11
• 期：1
• 页码：141-150
• 全文大小：2255 K
• 卷排序：11

文摘

The title compound derived from 3β-chlorocholest-5-ene has been synthesized and characterized successfully. A single crystal X-ray investigation of the compound revealed that the van der Waals interactions play a key role in the formation of the elementary structure. Hirshfeld surface analysis was used to visualize the fidelity of the crystal structure. This method permitted the identification of individual types of intermolecular contacts and their impact on crystal packing. Molecules are linked by a combination of CH⋯H and C⋯H contacts, which have clear signatures in the fingerprint plots. The absorption spectrum exhibited a strong absorption band of approximately 246 nm, and the fluorescence spectrum of the compound showed one broad peak at 367 nm. Thermal studies established that the compound undergoes no phase transition and is stable up to 200 °C. The hardness of the grown crystal increases as the load increases. The electric permittivity of cholest-5-ene decreases with increasing frequency and becomes almost constant at high frequencies.