4-(2-Oxopropyl)-1,3-bis(prop-2-yn-1-yl)-2,3,4,5-tetrahydro-1,5-benzodiazepin-2(1H)-one

4-(2-Oxopropyl)-1,3-bis(prop-2-yn-1-yl)-2,3,4,5-tetrahydro-1,5-benzodiazepin-2(1H)-one

In the title molecule, C18H16N2O2, the seven-membered diazepinone ring adopts a boat conformation. An intramolecular N—H...O hydrogen bond encloses an S(6) ring. The two propynyl substituents each point away from the same face of the benzodiazepinone ring system. In the crystal, C—H...O hydrogen bon...

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Bibliographic Details
Main Authors: Jihad Sebhaoui, Youness El Bakri, Ibtissam Rayni, El Mokhtar Essassi, Joel T. Mague
Format: Article
Language:English
Published: International Union of Crystallography 2016-06-01
Series:IUCrData
Subjects:
crystal structure
benzodiazepine
alkyne
hydrogen bonds
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2414314616010130
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spelling doaj-626ffede787a4150aee34a6bd12d3f532020-11-25T00:34:32ZengInternational Union of CrystallographyIUCrData2414-31462016-06-0116x16101310.1107/S2414314616010130sj40494-(2-Oxopropyl)-1,3-bis(prop-2-yn-1-yl)-2,3,4,5-tetrahydro-1,5-benzodiazepin-2(1H)-oneJihad Sebhaoui0Youness El Bakri1Ibtissam Rayni2El Mokhtar Essassi3Joel T. Mague4Laboratoire de Chimie Organique Hétérocyclique, URAC 21, Pôle de Compétence Pharmacochimie, Av Ibn Battouta, BP 1014, Faculté des Sciences, Mohammed V University, Rabat, MoroccoLaboratoire de Chimie Organique Hétérocyclique, URAC 21, Pôle de Compétence Pharmacochimie, Av Ibn Battouta, BP 1014, Faculté des Sciences, Mohammed V University, Rabat, MoroccoLaboratoire de Chimie Organique Hétérocyclique, URAC 21, Pôle de Compétence Pharmacochimie, Av Ibn Battouta, BP 1014, Faculté des Sciences, Mohammed V University, Rabat, MoroccoLaboratoire de Chimie Organique Hétérocyclique, URAC 21, Pôle de Compétence Pharmacochimie, Av Ibn Battouta, BP 1014, Faculté des Sciences, Mohammed V University, Rabat, MoroccoDepartment of Chemistry, Tulane University, New Orleans, LA 70118, USAIn the title molecule, C18H16N2O2, the seven-membered diazepinone ring adopts a boat conformation. An intramolecular N—H...O hydrogen bond encloses an S(6) ring. The two propynyl substituents each point away from the same face of the benzodiazepinone ring system. In the crystal, C—H...O hydrogen bonds form double chains of molecules along the c-axis direction.http://scripts.iucr.org/cgi-bin/paper?S2414314616010130crystal structurebenzodiazepinealkynehydrogen bonds
collection DOAJ
language English
format Article
sources DOAJ
author Jihad Sebhaoui
Youness El Bakri
Ibtissam Rayni
El Mokhtar Essassi
Joel T. Mague
spellingShingle Jihad Sebhaoui
Youness El Bakri
Ibtissam Rayni
El Mokhtar Essassi
Joel T. Mague
4-(2-Oxopropyl)-1,3-bis(prop-2-yn-1-yl)-2,3,4,5-tetrahydro-1,5-benzodiazepin-2(1H)-one
IUCrData
crystal structure
benzodiazepine
alkyne
hydrogen bonds
author_facet Jihad Sebhaoui
Youness El Bakri
Ibtissam Rayni
El Mokhtar Essassi
Joel T. Mague
author_sort Jihad Sebhaoui
title 4-(2-Oxopropyl)-1,3-bis(prop-2-yn-1-yl)-2,3,4,5-tetrahydro-1,5-benzodiazepin-2(1H)-one
title_short 4-(2-Oxopropyl)-1,3-bis(prop-2-yn-1-yl)-2,3,4,5-tetrahydro-1,5-benzodiazepin-2(1H)-one
title_full 4-(2-Oxopropyl)-1,3-bis(prop-2-yn-1-yl)-2,3,4,5-tetrahydro-1,5-benzodiazepin-2(1H)-one
title_fullStr 4-(2-Oxopropyl)-1,3-bis(prop-2-yn-1-yl)-2,3,4,5-tetrahydro-1,5-benzodiazepin-2(1H)-one
title_full_unstemmed 4-(2-Oxopropyl)-1,3-bis(prop-2-yn-1-yl)-2,3,4,5-tetrahydro-1,5-benzodiazepin-2(1H)-one
title_sort 4-(2-oxopropyl)-1,3-bis(prop-2-yn-1-yl)-2,3,4,5-tetrahydro-1,5-benzodiazepin-2(1h)-one
publisher International Union of Crystallography
series IUCrData
issn 2414-3146
publishDate 2016-06-01
description In the title molecule, C18H16N2O2, the seven-membered diazepinone ring adopts a boat conformation. An intramolecular N—H...O hydrogen bond encloses an S(6) ring. The two propynyl substituents each point away from the same face of the benzodiazepinone ring system. In the crystal, C—H...O hydrogen bonds form double chains of molecules along the c-axis direction.
topic crystal structure
benzodiazepine
alkyne
hydrogen bonds
url http://scripts.iucr.org/cgi-bin/paper?S2414314616010130
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