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Crystal structure and Hirshfeld surface analysis of 2-{[7-acetyl-4-cyano-6-hydroxy-8-(4-methoxyphenyl)-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetic acid ethyl ester

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The 4-methoxyphenyl group is disposed on one side of the bicyclic core and the oxygen atoms of the hydroxyl and acetyl groups are disposed on the other. The unsaturated portion… Click to show full abstract

The 4-methoxyphenyl group is disposed on one side of the bicyclic core and the oxygen atoms of the hydroxyl and acetyl groups are disposed on the other. The unsaturated portion of the core adopts an envelope conformation. In the crystal, O—H⋯O and C—H⋯O hydrogen bonds form chains extending along the a-axis direction. These are linked into layers parallel to the ac plane by additional C—H⋯O hydrogen bonds and C—H⋯π(ring) interactions.

Keywords: structure hirshfeld; analysis acetyl; surface analysis; methoxyphenyl; crystal structure; hirshfeld surface

Journal Title: Acta Crystallographica Section E: Crystallographic Communications
Year Published: 2022

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