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α-(2,6-二甲基苯基)-2-[3-羟基-2-氧代-3-(2-氧代丙基)吲哚啉-1-基]乙酰胺的晶体结构与 Hirshfeld 表面分析

Crystal structure and Hirshfeld surface analysis of -(2,6-di-methyl-phen-yl)-2-[3-hy-droxy-2-oxo-3-(2-oxoprop-yl)indolin-1-yl]acetamide.

作者信息

Nchioua Intissar, Alsubari Abdulsalam, Mague Joel T, Ramli Youssef

机构信息

Laboratory of Medicinal Chemistry, Drug Sciences Research Center, Faculty of Medicine and Pharmacy, Mohammed V University in Rabat, Morocco.

Laboratory of Medicinal Chemistry, Faculty of Clinical Pharmacy, 21 September University, Yemen.

出版信息

Acta Crystallogr E Crystallogr Commun. 2022 Aug 18;78(Pt 9):922-925. doi: 10.1107/S2056989022007848. eCollection 2022 Sep 1.

DOI:10.1107/S2056989022007848
PMID:36072528
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9443800/
Abstract

The cup-shaped conformation of the title mol-ecule, CHNO, is largely determined by an intra-molecular N-H⋯O hydrogen bond. In the crystal, double layers of mol-ecules are formed by O-H⋯O and C-H⋯O hydrogen bonds. A Hirshfeld surface analysis was performed, which confirms the regions that are active for inter-molecular inter-actions.

摘要

标题分子CHNO的杯状构象很大程度上由分子内N-H⋯O氢键决定。在晶体中，分子通过O-H⋯O和C-H⋯O氢键形成双层结构。进行了 Hirshfeld 表面分析，证实了分子间相互作用活跃的区域。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b74c/9443800/f43d46dc49f1/e-78-00922-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b74c/9443800/c2c91ddcd051/e-78-00922-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b74c/9443800/e4ea4b146eaa/e-78-00922-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b74c/9443800/fae7e393aec9/e-78-00922-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b74c/9443800/9182d0dcc619/e-78-00922-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b74c/9443800/f43d46dc49f1/e-78-00922-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b74c/9443800/c2c91ddcd051/e-78-00922-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b74c/9443800/e4ea4b146eaa/e-78-00922-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b74c/9443800/fae7e393aec9/e-78-00922-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b74c/9443800/9182d0dcc619/e-78-00922-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b74c/9443800/f43d46dc49f1/e-78-00922-fig5.jpg

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