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

In the title compound, C(14)H(15)N(5)O(2), the whole mol­ecule apart from the terminal C atoms of the isopropyl group is located on a crystallographic mirror plane. An intra­molecular C—H⋯N hydrogen-bonding inter­action may stabilize the mol­ecular conformation. The crystal packing features weak sli...

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Detalles Bibliográficos
Autores principales: Zeng, Xiao-Hua, Wang, Hong-Mei, Deng, Shou-Heng, Chen, Li-Li
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009167/
https://www.ncbi.nlm.nih.gov/pubmed/21589117
http://dx.doi.org/10.1107/S1600536810041978
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author Zeng, Xiao-Hua
Wang, Hong-Mei
Deng, Shou-Heng
Chen, Li-Li
author_facet Zeng, Xiao-Hua
Wang, Hong-Mei
Deng, Shou-Heng
Chen, Li-Li
author_sort Zeng, Xiao-Hua
collection PubMed
description In the title compound, C(14)H(15)N(5)O(2), the whole mol­ecule apart from the terminal C atoms of the isopropyl group is located on a crystallographic mirror plane. An intra­molecular C—H⋯N hydrogen-bonding inter­action may stabilize the mol­ecular conformation. The crystal packing features weak slipped π–π inter­actions between the pyrimidine and the phenyl rings of symmetry-related mol­ecules [centroid–centroid distance = 3.746 (1)Å, slippage of 1.574 Å].
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spelling pubmed-30091672010-12-30 6-Isopropyl-5-meth­oxy-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one Zeng, Xiao-Hua Wang, Hong-Mei Deng, Shou-Heng Chen, Li-Li Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(14)H(15)N(5)O(2), the whole mol­ecule apart from the terminal C atoms of the isopropyl group is located on a crystallographic mirror plane. An intra­molecular C—H⋯N hydrogen-bonding inter­action may stabilize the mol­ecular conformation. The crystal packing features weak slipped π–π inter­actions between the pyrimidine and the phenyl rings of symmetry-related mol­ecules [centroid–centroid distance = 3.746 (1)Å, slippage of 1.574 Å]. International Union of Crystallography 2010-10-30 /pmc/articles/PMC3009167/ /pubmed/21589117 http://dx.doi.org/10.1107/S1600536810041978 Text en © Zeng et al. 2010 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
Wang, Hong-Mei
Deng, Shou-Heng
Chen, Li-Li
6-Isopropyl-5-meth­oxy-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
title 6-Isopropyl-5-meth­oxy-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
title_full 6-Isopropyl-5-meth­oxy-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
title_fullStr 6-Isopropyl-5-meth­oxy-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
title_full_unstemmed 6-Isopropyl-5-meth­oxy-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
title_short 6-Isopropyl-5-meth­oxy-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
title_sort 6-isopropyl-5-meth­oxy-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/PMC3009167/
https://www.ncbi.nlm.nih.gov/pubmed/21589117
http://dx.doi.org/10.1107/S1600536810041978
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