5-(4-Chloro­phen­oxy)-6-isopropyl-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one

In the title compound, C(19)H(16)ClN(5)O(2), the triazolopyrimidine ring system is essentially planar, with a maximum displacement of 0.021 (4) Å, and forms dihedral angles of 1.09 (9) and 87.74 (9)° with the phenyl and benzene rings, respectively. Short intra­molecular C—H⋯O and C—H⋯N hydrogen-bond...

Descripción completa

Detalles Bibliográficos
Autores principales: Zeng, Xiao-Hua, Liu, Xiao-Ling, Deng, Shou-Heng, Chen, Ping, Wang, Hong-Mei
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970466/
https://www.ncbi.nlm.nih.gov/pubmed/21578020
http://dx.doi.org/10.1107/S160053680903788X
_version_ 1782190451164446720
author Zeng, Xiao-Hua
Liu, Xiao-Ling
Deng, Shou-Heng
Chen, Ping
Wang, Hong-Mei
author_facet Zeng, Xiao-Hua
Liu, Xiao-Ling
Deng, Shou-Heng
Chen, Ping
Wang, Hong-Mei
author_sort Zeng, Xiao-Hua
collection PubMed
description In the title compound, C(19)H(16)ClN(5)O(2), the triazolopyrimidine ring system is essentially planar, with a maximum displacement of 0.021 (4) Å, and forms dihedral angles of 1.09 (9) and 87.74 (9)° with the phenyl and benzene rings, respectively. Short intra­molecular C—H⋯O and C—H⋯N hydrogen-bonding inter­actions occur within the molecule. In the crystal structure, mol­ecules are linked by inter­molecular C—H⋯O hydrogen bonds into chains parallel to the b axis. In addition, π–π stacking inter­actions involving the triazole and pyrimidine rings of adjacent mol­ecules are observed, with centroid–centroid distances of 3.600 (3) Å.
format Text
id pubmed-2970466
institution National Center for Biotechnology Information
language English
publishDate 2009
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29704662010-12-30 5-(4-Chloro­phen­oxy)-6-isopropyl-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one Zeng, Xiao-Hua Liu, Xiao-Ling Deng, Shou-Heng Chen, Ping Wang, Hong-Mei Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(19)H(16)ClN(5)O(2), the triazolopyrimidine ring system is essentially planar, with a maximum displacement of 0.021 (4) Å, and forms dihedral angles of 1.09 (9) and 87.74 (9)° with the phenyl and benzene rings, respectively. Short intra­molecular C—H⋯O and C—H⋯N hydrogen-bonding inter­actions occur within the molecule. In the crystal structure, mol­ecules are linked by inter­molecular C—H⋯O hydrogen bonds into chains parallel to the b axis. In addition, π–π stacking inter­actions involving the triazole and pyrimidine rings of adjacent mol­ecules are observed, with centroid–centroid distances of 3.600 (3) Å. International Union of Crystallography 2009-09-30 /pmc/articles/PMC2970466/ /pubmed/21578020 http://dx.doi.org/10.1107/S160053680903788X Text en © Zeng et al. 2009 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Zeng, Xiao-Hua
Liu, Xiao-Ling
Deng, Shou-Heng
Chen, Ping
Wang, Hong-Mei
5-(4-Chloro­phen­oxy)-6-isopropyl-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
title 5-(4-Chloro­phen­oxy)-6-isopropyl-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
title_full 5-(4-Chloro­phen­oxy)-6-isopropyl-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
title_fullStr 5-(4-Chloro­phen­oxy)-6-isopropyl-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
title_full_unstemmed 5-(4-Chloro­phen­oxy)-6-isopropyl-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
title_short 5-(4-Chloro­phen­oxy)-6-isopropyl-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
title_sort 5-(4-chloro­phen­oxy)-6-isopropyl-3-phenyl-3h-1,2,3-triazolo[4,5-d]pyrimidin-7(6h)-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970466/
https://www.ncbi.nlm.nih.gov/pubmed/21578020
http://dx.doi.org/10.1107/S160053680903788X
work_keys_str_mv AT zengxiaohua 54chlorophenoxy6isopropyl3phenyl3h123triazolo45dpyrimidin76hone
AT liuxiaoling 54chlorophenoxy6isopropyl3phenyl3h123triazolo45dpyrimidin76hone
AT dengshouheng 54chlorophenoxy6isopropyl3phenyl3h123triazolo45dpyrimidin76hone
AT chenping 54chlorophenoxy6isopropyl3phenyl3h123triazolo45dpyrimidin76hone
AT wanghongmei 54chlorophenoxy6isopropyl3phenyl3h123triazolo45dpyrimidin76hone

Ejemplares similares