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1-[3-(2-氧代-3-苯基-1,2-二氢喹喔啉-1-基)丙基]-3-苯基-1,2-二氢喹喔啉-2-酮的合成、晶体结构及 Hirshfeld 表面分析

Synthesis, crystal structure and Hirshfeld surface analysis of 1-[3-(2-oxo-3-phenyl-1,2-di-hydro-quinoxalin-1-yl)prop-yl]-3-phenyl-1,2-di-hydro-quinoxalin-2-one.

作者信息

Abad Nadeem, Mague Joel T, Alsubari Abdulsalam, Essassi El Mokhtar, Alzahrani Abdullah Yahya Abdullah, 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 Heterocyclic Organic Chemistry Faculty of Sciences, Mohammed V University, Rabat, Morocco.

出版信息

Acta Crystallogr E Crystallogr Commun. 2024 May 17;80(Pt 6):610-614. doi: 10.1107/S2056989024004377. eCollection 2024 May 1.

Abstract

In the title compound, CHNO, the di-hydro-quinoxaline units are both essentially planar with the dihedral angle between their mean planes being 64.82 (4)°. The attached phenyl rings differ significantly in their rotational orientations with respect to the di-hydro-quinoxaline planes. In the crystal, one set of C-H⋯O hydrogen bonds form chains along the -axis direction, which are connected in pairs by a second set of C-H⋯O hydrogen bonds. Two sets of π-stacking inter-actions and C-H⋯π(ring) inter-actions join the double chains into the final three-dimensional structure.

摘要

在标题化合物CHNO中,二氢喹喔啉单元基本呈平面结构,其平均平面之间的二面角为64.82 (4)°。连接的苯环相对于二氢喹喔啉平面的旋转取向有显著差异。在晶体中,一组C—H⋯O氢键沿轴方向形成链,通过另一组C—H⋯O氢键成对连接。两组π-堆积相互作用和C—H⋯π(环)相互作用将双链连接成最终的三维结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a27/11151325/b2185c838b62/e-80-00610-fig1.jpg

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