Crystal structure of ethyl 2-{4-[(2-oxo-3-phenyl-1,2-di-hydro-quinoxalin-1-yl)meth-yl]-1H-1,2,3-triazol-1-yl}acetate.

IUCrData Pub Date : 2022-07-14 eCollection Date: 2022-07-01 DOI:10.1107/S2414314622006939
Nadeem Abad, Mohcine Missioui, Abdulsalam Alsubari, Joel T Mague, El Mokhtar Essassi, Youssef Ramli
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Abstract

The quinoxaline portion of the title mol-ecule, C21H19N5O3, is not quite planar as indicated by a dihedral angle of 3.38 (7)° between the constituent rings. The mol-ecule is 'U-shaped', which is consolidated by an intra-molecular anti-parallel carbonyl electrostatic inter-action with C··O distances of 2.8905 (16) and 3.0221 (15) Å, in the crystal forms corrugated layers through C-H⋯O and C-H⋯N hydrogen bonds and C-H⋯π(ring) and π-stacking inter-actions.

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Abstract Image

Abstract Image

2-{4-[(2-oxo-3-phenyl-1,2-di-hydro-quinoxalin-1-yl)meth-yl]-1H-1,2,3-triazol-1-yl} 乙酸乙酯的晶体结构。
标题分子单元 C21H19N5O3 中的喹喔啉部分并不完全是平面的,组成环之间的二面角为 3.38 (7)°。该分子单元呈 "U "形,通过分子内反平行的羰基静电相互作用(C--O 间距分别为 2.8905 (16) Å 和 3.0221 (15) Å),在晶体中通过 C-H⋯O 和 C-H⋯N 氢键以及 C-H⋯π (环) 和 π-stacking 相互作用形成波纹层。
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