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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International Union of Crystallography
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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 |
work_keys_str_mv |
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1725312798842421248 |