Structural elucidation, density functional calculations and contribution of intermolecular interactions in cholest-4-en-3-one crystals: Insights from X-ray and Hirshfeld surface analysis

In the present work we have described synthesis and single crystal X-ray analysis of cholest-4-en-3-one. Intermolecular interactions have been studied through Hirshfeld surface analysis/finger print plot. In addition density functional calculations have also been performed. [Display omitted] •Synthe...

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Veröffentlicht in:	Journal of molecular structure 2015-03, Vol.1084, p.274-283
Hauptverfasser:	Khanam, Hena, Mashrai, Ashraf, Siddiqui, Nazish, Ahmad, Musheer, Alam, Mohammad Jane, Ahmad, Shabbir, Shamsuzzaman
Format:	Artikel
Sprache:	eng
Schlagworte:	Bonding Cholest-4-en-3-one Crystal structure Density DFT Fingerprints Hirshfeld Mathematical analysis Molecular structure Signatures Steroids X-ray X-rays
Online-Zugang:	Volltext
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