4-(Prop-2-yn-1-ylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine

4-(Prop-2-yn-1-ylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine

The asymmetric unit of the title compound, C8H6N4S, consists of two independent molecules differing in the orientation of the side chain. In the crystal, molecules form dimers through N—H...N hydrogen bonds. The dimers stack along the a-axis direction with weak π–π stacking interactions [centroid–ce...

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Bibliographic Details
Main Authors: Mohamed El Hafi, Mohammed Boulhaoua, Youssef Ramli, Mohammed Benchidmi, El Mokhtar Essassi, Joel T. Mague
Format: Article
Language:English
Published: International Union of Crystallography 2017-10-01
Series:IUCrData
Subjects:
crystal structure
hydrogen bond
π-stacking
pyrimidine
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2414314617015267
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spelling doaj-403781cf801a4e3cac7cdc9e1ade69dd2020-11-24T23:52:07ZengInternational Union of CrystallographyIUCrData2414-31462017-10-01210x17152610.1107/S2414314617015267bh40284-(Prop-2-yn-1-ylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidineMohamed El Hafi0Mohammed Boulhaoua1Youssef Ramli2Mohammed Benchidmi3El Mokhtar Essassi4Joel T. Mague5Laboratoire de Chimie Organique Hétérocyclique, Centre de Recherche Des Sciences des Médicaments, 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, Pôle de Compétence Pharmacochimie, Av Ibn Battouta, BP 1014, Faculté des Sciences, Université Mohammed V, Rabat, MoroccoLaboratory of Medicinal Chemistry, Faculty of Medicine and Pharmacy, Mohammed V University, Rabat, MoroccoLaboratoire de Chimie Organique Hétérocyclique, Centre de Recherche Des Sciences des Médicaments, 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, 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, C8H6N4S, consists of two independent molecules differing in the orientation of the side chain. In the crystal, molecules form dimers through N—H...N hydrogen bonds. The dimers stack along the a-axis direction with weak π–π stacking interactions [centroid–centroid distances of 3.898 (2) and 3.908 (2) Å]. The crystal studied was refined as a two-component twin.http://scripts.iucr.org/cgi-bin/paper?S2414314617015267crystal structurehydrogen bondπ-stackingpyrimidine
collection DOAJ
language English
format Article
sources DOAJ
author Mohamed El Hafi
Mohammed Boulhaoua
Youssef Ramli
Mohammed Benchidmi
El Mokhtar Essassi
Joel T. Mague
spellingShingle Mohamed El Hafi
Mohammed Boulhaoua
Youssef Ramli
Mohammed Benchidmi
El Mokhtar Essassi
Joel T. Mague
4-(Prop-2-yn-1-ylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine
IUCrData
crystal structure
hydrogen bond
π-stacking
pyrimidine
author_facet Mohamed El Hafi
Mohammed Boulhaoua
Youssef Ramli
Mohammed Benchidmi
El Mokhtar Essassi
Joel T. Mague
author_sort Mohamed El Hafi
title 4-(Prop-2-yn-1-ylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine
title_short 4-(Prop-2-yn-1-ylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine
title_full 4-(Prop-2-yn-1-ylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine
title_fullStr 4-(Prop-2-yn-1-ylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine
title_full_unstemmed 4-(Prop-2-yn-1-ylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine
title_sort 4-(prop-2-yn-1-ylsulfanyl)-1h-pyrazolo[3,4-d]pyrimidine
publisher International Union of Crystallography
series IUCrData
issn 2414-3146
publishDate 2017-10-01
description The asymmetric unit of the title compound, C8H6N4S, consists of two independent molecules differing in the orientation of the side chain. In the crystal, molecules form dimers through N—H...N hydrogen bonds. The dimers stack along the a-axis direction with weak π–π stacking interactions [centroid–centroid distances of 3.898 (2) and 3.908 (2) Å]. The crystal studied was refined as a two-component twin.
topic crystal structure
hydrogen bond
π-stacking
pyrimidine
url http://scripts.iucr.org/cgi-bin/paper?S2414314617015267
work_keys_str_mv AT mohamedelhafi 4prop2yn1ylsulfanyl1hpyrazolo34dpyrimidine
AT mohammedboulhaoua 4prop2yn1ylsulfanyl1hpyrazolo34dpyrimidine
AT yousseframli 4prop2yn1ylsulfanyl1hpyrazolo34dpyrimidine
AT mohammedbenchidmi 4prop2yn1ylsulfanyl1hpyrazolo34dpyrimidine
AT elmokhtaressassi 4prop2yn1ylsulfanyl1hpyrazolo34dpyrimidine
AT joeltmague 4prop2yn1ylsulfanyl1hpyrazolo34dpyrimidine
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