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

The asymmetric unit of the title compound, C(21)H(21)N(5)O(3), consists of two geometrically similar mol­ecules. The fused rings of the triazolo[4,5-d]pyrimidine system are nearly coplanar, making dihedral angels of 1.48 (18) and 1.34 (16)°, and the phenyl rings are twisted by 12.3 (1) and 8.7 (1)°...

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Detalles Bibliográficos
Autores principales: Zeng, Xiao-Hua, Deng, Shou-Heng, Chen, Ping, Wang, Hong-Mei, Ma, Zuan
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971827/
https://www.ncbi.nlm.nih.gov/pubmed/21578768
http://dx.doi.org/10.1107/S1600536809046017
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author Zeng, Xiao-Hua
Deng, Shou-Heng
Chen, Ping
Wang, Hong-Mei
Ma, Zuan
author_facet Zeng, Xiao-Hua
Deng, Shou-Heng
Chen, Ping
Wang, Hong-Mei
Ma, Zuan
author_sort Zeng, Xiao-Hua
collection PubMed
description The asymmetric unit of the title compound, C(21)H(21)N(5)O(3), consists of two geometrically similar mol­ecules. The fused rings of the triazolo[4,5-d]pyrimidine system are nearly coplanar, making dihedral angels of 1.48 (18) and 1.34 (16)°, and the phenyl rings are twisted by 12.3 (1) and 8.7 (1)° with respect to the triazolopyrimidine plane. The ethyl groups of the n-butyl side chains are disordered over two sites in each of the independent mol­ecules, the ratios of occupancies being 0.60:0.40 and 0.61:0.39.
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spelling pubmed-29718272010-12-30 6-Butyl-5-(4-methoxy­phen­oxy)-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one Zeng, Xiao-Hua Deng, Shou-Heng Chen, Ping Wang, Hong-Mei Ma, Zuan Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(21)H(21)N(5)O(3), consists of two geometrically similar mol­ecules. The fused rings of the triazolo[4,5-d]pyrimidine system are nearly coplanar, making dihedral angels of 1.48 (18) and 1.34 (16)°, and the phenyl rings are twisted by 12.3 (1) and 8.7 (1)° with respect to the triazolopyrimidine plane. The ethyl groups of the n-butyl side chains are disordered over two sites in each of the independent mol­ecules, the ratios of occupancies being 0.60:0.40 and 0.61:0.39. International Union of Crystallography 2009-11-07 /pmc/articles/PMC2971827/ /pubmed/21578768 http://dx.doi.org/10.1107/S1600536809046017 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
Deng, Shou-Heng
Chen, Ping
Wang, Hong-Mei
Ma, Zuan
6-Butyl-5-(4-methoxy­phen­oxy)-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
title 6-Butyl-5-(4-methoxy­phen­oxy)-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
title_full 6-Butyl-5-(4-methoxy­phen­oxy)-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
title_fullStr 6-Butyl-5-(4-methoxy­phen­oxy)-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
title_full_unstemmed 6-Butyl-5-(4-methoxy­phen­oxy)-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
title_short 6-Butyl-5-(4-methoxy­phen­oxy)-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
title_sort 6-butyl-5-(4-methoxy­phen­oxy)-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/PMC2971827/
https://www.ncbi.nlm.nih.gov/pubmed/21578768
http://dx.doi.org/10.1107/S1600536809046017
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