1-[(1-辛基-1H-1,2,3-三唑-4-基)甲基]-3-苯基-1,2-二氢喹喔啉-2(1H)-酮的合成、晶体结构和 Hirshfeld 表面分析

Nadeem Abad , Joel T. Mague , Camille Kalonji Mubengayi , Abdulsalam Alsubari , El Mokhtar Essassi , Youssef Ramli
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引用次数: 0

摘要

在标题分子 C25H29N5O 中,二氢喹喔啉单元并不完全是平面的(r.m.s. 偏差 = 0.030 Å),因为组成环的平均平面之间存在 2.69 (3)° 的二面角,分子呈发夹构象。在晶体中,分子的极性部分通过 C-H...O、C-H...N 氢键以及 C-H...π(环)和 C=O...π(环)相互作用结合在一起,形成平行于 bc 平面的厚层,并与外表面的正辛基结合在一起。
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Synthesis, crystal structure and Hirshfeld surface analysis of 1-[(1-octyl-1H-1,2,3-triazol-4-yl)methyl]-3-phenyl-1,2-di­hydro­quinoxalin-2(1H)-one

The di­hydro­quinoxaline unit in the title mol­ecule is not quite planar and the mol­ecule adopts a hairpin conformation due in part to an intra­molecular C—H⋯O hydrogen bond. In the crystal, the polar portions of the mol­ecules are associated through C—H⋯O and C—H⋯N hydrogen bonds and C—H⋯π(ring) and C= O⋯π(ring) inter­actions, forming thick layers parallel to the bc plane and with the n-octyl groups on the outside surfaces.

In the title mol­ecule, C25H29N5O, the di­hydro­quinoxaline unit is not quite planar (r.m.s. deviation = 0.030 Å) as there is a dihedral angle of 2.69 (3)° between the mean planes of the constituent rings and the mol­ecule adopts a hairpin conformation. In the crystal, the polar portions of the mol­ecules are associated through C—H⋯O and C—H⋯N hydrogen bonds and C—H⋯π(ring) and C=O⋯π(ring) inter­actions, forming thick layers parallel to the bc plane and with the n-octyl groups on the outside surfaces.

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来源期刊
CiteScore
1.90
自引率
0.00%
发文量
351
审稿时长
3 weeks
期刊介绍: Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.
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