1-Benzyl-3-methylquinoxalin-2(1H)-one

1-Benzyl-3-methylquinoxalin-2(1H)-one

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The asymmetric unit of the title compound, C16H14N2O, contains three independent molecules differing primarily in the orientations of the benzyl groups. Each independent molecule forms inversion related dimers via offset π-stacking interactions. For two of these dimers, stacks are formed approximate...

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Bibliographic Details
Main Authors: Youssef Ramli, Youness El Bakri, L'houssaine El Ghayati, El Mokhtar Essassi, Joel T. Mague
Format: Article
Language:English
Published: International Union of Crystallography 2018-03-01
Series:IUCrData
Subjects:
crystal structure
quinoxaline
hydrogen bonds
π-stacking
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2414314618003905
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spelling doaj-e5f75174b2a64ab4bd6021148a528c482020-11-25T00:49:45ZengInternational Union of CrystallographyIUCrData2414-31462018-03-0133x18039010.1107/S2414314618003905sj41671-Benzyl-3-methylquinoxalin-2(1H)-oneYoussef Ramli0Youness El Bakri1L'houssaine El Ghayati2El Mokhtar Essassi3Joel T. Mague4Laboratory of Medicinal Chemistry, Faculty of Medicine and Pharmacy, University Mohammed V, Rabat, MoroccoLaboratoire de Chimie Organique Hétérocyclique, Centre de Recherche des Sciences des médicaments, URAC 21, Pôle de Compétence Pharmacochimie, Av Ibn Battouta, BP 1014, Faculté des Sciences, Université Mohammed V, Rabat, MoroccoLaboratoire de Chimie Organique Hétérocyclique, Centre de Recherche des Sciences des médicaments, URAC 21, Pôle de Compétence Pharmacochimie, Av Ibn Battouta, BP 1014, Faculté des Sciences, Université Mohammed V, Rabat, MoroccoLaboratoire de Chimie Organique Hétérocyclique, Centre de Recherche des Sciences des médicaments, URAC 21, Pôle de Compétence Pharmacochimie, Av Ibn Battouta, BP 1014, Faculté des Sciences, Université Mohammed V, Rabat, MoroccoDepartment of Chemistry, Tulane University, New Orleans, LA 70118, USAThe asymmetric unit of the title compound, C16H14N2O, contains three independent molecules differing primarily in the orientations of the benzyl groups. Each independent molecule forms inversion related dimers via offset π-stacking interactions. For two of these dimers, stacks are formed approximately along the a-axis direction by a combinations of C—H...N and C—H...π(ring) contacts, in addition to the offset π-stacking interactions. The third set of dimers are also stacked in the same direction but only by pairwise C—H...N hydrogen bonds.http://scripts.iucr.org/cgi-bin/paper?S2414314618003905crystal structurequinoxalinehydrogen bondsπ-stacking
collection DOAJ
language English
format Article
sources DOAJ
author Youssef Ramli
Youness El Bakri
L'houssaine El Ghayati
El Mokhtar Essassi
Joel T. Mague
spellingShingle Youssef Ramli
Youness El Bakri
L'houssaine El Ghayati
El Mokhtar Essassi
Joel T. Mague
1-Benzyl-3-methylquinoxalin-2(1H)-one
IUCrData
crystal structure
quinoxaline
hydrogen bonds
π-stacking
author_facet Youssef Ramli
Youness El Bakri
L'houssaine El Ghayati
El Mokhtar Essassi
Joel T. Mague
author_sort Youssef Ramli
title 1-Benzyl-3-methylquinoxalin-2(1H)-one
title_short 1-Benzyl-3-methylquinoxalin-2(1H)-one
title_full 1-Benzyl-3-methylquinoxalin-2(1H)-one
title_fullStr 1-Benzyl-3-methylquinoxalin-2(1H)-one
title_full_unstemmed 1-Benzyl-3-methylquinoxalin-2(1H)-one
title_sort 1-benzyl-3-methylquinoxalin-2(1h)-one
publisher International Union of Crystallography
series IUCrData
issn 2414-3146
publishDate 2018-03-01
description The asymmetric unit of the title compound, C16H14N2O, contains three independent molecules differing primarily in the orientations of the benzyl groups. Each independent molecule forms inversion related dimers via offset π-stacking interactions. For two of these dimers, stacks are formed approximately along the a-axis direction by a combinations of C—H...N and C—H...π(ring) contacts, in addition to the offset π-stacking interactions. The third set of dimers are also stacked in the same direction but only by pairwise C—H...N hydrogen bonds.
topic crystal structure
quinoxaline
hydrogen bonds
π-stacking
url http://scripts.iucr.org/cgi-bin/paper?S2414314618003905
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