The title mol-ecule, C(29)H(29)N(3)O(4)S, adopts a conformation with the two phenyl substituents disposed on opposite sides of the mean plane of the iso-quinoline unit. In the crystal, corrugated layers of mol-ecules are formed by N-Hâ¯O, C-Hâ¯N and C-Hâ¯S hydrogen bonds together with C-Hâ¯Ï(ring) inter-actions. These layers are connected by C-Hâ¯O contacts. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from Hâ¯H (45.2%), Câ¯H/Hâ¯C (20.2%), Oâ¯H/Hâ¯O (15.8%) and Nâ¯H/Hâ¯N (11.0%) inter-actions.
Crystal structure and Hirshfeld surface analysis of 2-{[7-acetyl-4-cyano-6-hy-droxy-8-(4-meth-oxy-phen-yl)-1,6-dimethyl-5,6,7,8-tetra-hydro-iso-quino-lin-3-yl]sulfan-yl}-N-phenyl-acetamide.
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作者:Sayed Eman M, Hassanien Reda, Mohamed Shaaban K, Mague Joel T, Akkurt Mehmet, Farhan Nasser, Bakhite Etify A, Al-Waleedy Safiyyah A H
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2021 | 起止号: | 2021 May 28; 77(Pt 6):663-667 |
| doi: | 10.1107/S2056989021005430 | ||
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