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

In the title compound, C(20)H(19)N(5)O(2), all atoms of the 1,2,3-triazolo[4,5-d]pyrimidine ring system are essentially coplanar [maximum deviation = 0.015 (2) Å], indicating the existence of a conjugate system in which each carbon and nitrogen atom is sp (2) hybridized and ten π electrons (three fr...

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Autores principales: Deng, Shou-Heng, Wang, Hong-Mei, Chen, Ping, Ma, Jun-Kai, Cao, Feng-Jun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971348/
https://www.ncbi.nlm.nih.gov/pubmed/21578326
http://dx.doi.org/10.1107/S160053680904118X
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author Deng, Shou-Heng
Wang, Hong-Mei
Chen, Ping
Ma, Jun-Kai
Cao, Feng-Jun
author_facet Deng, Shou-Heng
Wang, Hong-Mei
Chen, Ping
Ma, Jun-Kai
Cao, Feng-Jun
author_sort Deng, Shou-Heng
collection PubMed
description In the title compound, C(20)H(19)N(5)O(2), all atoms of the 1,2,3-triazolo[4,5-d]pyrimidine ring system are essentially coplanar [maximum deviation = 0.015 (2) Å], indicating the existence of a conjugate system in which each carbon and nitrogen atom is sp (2) hybridized and ten π electrons (three from carbon atoms and seven from nitrogen atoms) constitute an aromatic heterocycle. The ring system forms dihedral angles of 68.37 (10) and 71.57 (9)° with the phenyl rings. The crystal packing is stabilized by van der Waals inter­actions and intermolecular C—H⋯π interactions.
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spelling pubmed-29713482010-12-30 3-Benzyl-6-isopropyl-5-phen­oxy-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one Deng, Shou-Heng Wang, Hong-Mei Chen, Ping Ma, Jun-Kai Cao, Feng-Jun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(20)H(19)N(5)O(2), all atoms of the 1,2,3-triazolo[4,5-d]pyrimidine ring system are essentially coplanar [maximum deviation = 0.015 (2) Å], indicating the existence of a conjugate system in which each carbon and nitrogen atom is sp (2) hybridized and ten π electrons (three from carbon atoms and seven from nitrogen atoms) constitute an aromatic heterocycle. The ring system forms dihedral angles of 68.37 (10) and 71.57 (9)° with the phenyl rings. The crystal packing is stabilized by van der Waals inter­actions and intermolecular C—H⋯π interactions. International Union of Crystallography 2009-10-17 /pmc/articles/PMC2971348/ /pubmed/21578326 http://dx.doi.org/10.1107/S160053680904118X Text en © Deng 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
Deng, Shou-Heng
Wang, Hong-Mei
Chen, Ping
Ma, Jun-Kai
Cao, Feng-Jun
3-Benzyl-6-isopropyl-5-phen­oxy-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
title 3-Benzyl-6-isopropyl-5-phen­oxy-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
title_full 3-Benzyl-6-isopropyl-5-phen­oxy-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
title_fullStr 3-Benzyl-6-isopropyl-5-phen­oxy-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
title_full_unstemmed 3-Benzyl-6-isopropyl-5-phen­oxy-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
title_short 3-Benzyl-6-isopropyl-5-phen­oxy-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
title_sort 3-benzyl-6-isopropyl-5-phen­oxy-3h-1,2,3-triazolo[4,5-d]pyrimidin-7(6h)-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971348/
https://www.ncbi.nlm.nih.gov/pubmed/21578326
http://dx.doi.org/10.1107/S160053680904118X
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