Synthesis, crystal structure and Hirshfeld surface analysis of 1-[(1-octyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-3-phenyl-1,2-dihydroquinoxalin-2(1<i>H</i>)-one

In the title mol-ecule, C<sub>25</sub>H<sub>29</sub>N<sub>5</sub>O, the di-hydro-quinoxaline 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 mol-ecule adopts a hairpin conformation. In the crystal, the polar portions of the mol-ecules are associated through C-H⋯O and C-H⋯N hydrogen bonds and C-H⋯π(ring) and C=O⋯π(ring) inter-actions, forming thick layers parallel to the <i>bc</i> plane and with the <i>n</i>-octyl groups on the outside surfaces.

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Publication Details

Journal
Acta Crystallographica Section E Crystallographic Communications
Published
2024-08-09
DOI
https://doi.org/10.1107/s2056989024007746
Primary Topic
Synthesis and Biological Evaluation
Type
article
Field-Weighted Citation Impact
0.00

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article

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

Youssef Ramli, Nadeem Abad, Camille Kalonji Mubengayi, Joel T. Mague et al.
Acta Crystallographica Section E Crystallographic Communications
Synthesis and Biological Evaluation
article

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

Youssef Ramli, Nadeem Abad, Camille Kalonji Mubengayi, Joel T. Mague, Abdulsalam Alsubari, El Mokhtar Essassi
article en

Abstract

In the title mol-ecule, C<sub>25</sub>H<sub>29</sub>N<sub>5</sub>O, the di-hydro-quinoxaline 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 mol-ecule adopts a hairpin conformation. In the crystal, the polar portions of the mol-ecules are associated through C-H⋯O and C-H⋯N hydrogen bonds and C-H⋯π(ring) and C=O⋯π(ring) inter-actions, forming thick layers parallel to the <i>bc</i> plane and with the <i>n</i>-octyl groups on the outside surfaces.

Acta Crystallographica Section E Crystallographic CommunicationsVol. 80(9)
Tulane University (US), Mohammed V University (MA), Institut Supérieur de Technique Médicale (CD)
National Science Foundation, Tulane University
Openalex Percentile: Top 91%
Synthesis and Biological Evaluation
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