Crystal structure and Hirshfeld surface analysis of 2-{[7-acetyl-8-(4-chlorophenyl)-4-cyano-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}-N-(4-chlorophenyl)acetamide

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Atıf İçin Kopyala

AKKURT M., Marae I. S., Mague J. T., Mohamed S. K., Bakhite E. A., Al-Waleedy S. A. H.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.77, ss.527-538, 2021 (ESCI)

• Yayın Türü: Makale / Tam Makale
• Cilt numarası: 77
• Basım Tarihi: 2021
• Doi Numarası: 10.1107/s2056989021003674
• Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
• Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
• Sayfa Sayıları: ss.527-538
• Erciyes Üniversitesi Adresli: Evet

Özet

In the title molecule, C28H25Cl2N3O3S, the heterocyclic portion of the tetrahydroisoquinoline unit is planar while the cyclohexene ring adopts a twist-boat conformation. The two 4-chlorophenyl groups extend away from one side of this unit while the hydroxyl and acetyl groups extend away from the opposite side and form an intramolecular O-H center dot center dot center dot O hydrogen bond. The crystal packing consists of layers parallel to the bc plane. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from H center dot center dot center dot H (37.3%), Cl center dot center dot center dot H/H center dot center dot center dot Cl (17.6%), O center dot center dot center dot H/H center dot center dot center dot O (11.1%), C center dot center dot center dot H/H center dot center dot center dot C (10.9%) and N center dot center dot center dot H/H center dot center dot center dot N (9.7%) interactions.