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Crystal structure, Hirshfeld surface analysis, interaction energy, and DFT studies of cholesteryl heptanoate

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The title compound consists of cholesteryl and heptanoate units, in which the six-membered rings adopt chair and twisted-boat conformations, while the five-membered ring adopts an envelope conformation. In the crystal,… Click to show full abstract

The title compound consists of cholesteryl and heptanoate units, in which the six-membered rings adopt chair and twisted-boat conformations, while the five-membered ring adopts an envelope conformation. In the crystal, the molecules are aligned along the a-axis direction and stacked along the b-axis direction.

Keywords: surface analysis; hirshfeld surface; structure hirshfeld; analysis interaction; crystal structure; cholesteryl heptanoate

Journal Title: Acta Crystallographica Section E: Crystallographic Communications
Year Published: 2021

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