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2-{4-[(1,3-Benzodioxol-5-yl)meth­yl]piperazin-1-yl}pyrimidine

In the title compound, C(16)H(18)N(4)O(2), known also as peribedil, the dihedral angle between the mean planes of the pyrimidine and benzene rings is 56.5 (8)°. The 1,3-dioxole fragment adopts an envelope conformation with the methyl­ene C atom forming the flap; this atom deviates by 0.232 (3) Å fro...

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Detalles Bibliográficos
Autores principales: Wu, Chunli, Li, Jieming, Wei, Huijie, Hang, Ye, Jiang, Yueming
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3770405/
https://www.ncbi.nlm.nih.gov/pubmed/24046690
http://dx.doi.org/10.1107/S1600536813016851
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author Wu, Chunli
Li, Jieming
Wei, Huijie
Hang, Ye
Jiang, Yueming
author_facet Wu, Chunli
Li, Jieming
Wei, Huijie
Hang, Ye
Jiang, Yueming
author_sort Wu, Chunli
collection PubMed
description In the title compound, C(16)H(18)N(4)O(2), known also as peribedil, the dihedral angle between the mean planes of the pyrimidine and benzene rings is 56.5 (8)°. The 1,3-dioxole fragment adopts an envelope conformation with the methyl­ene C atom forming the flap; this atom deviates by 0.232 (3) Å from the plane defined by the remaining atoms of the 1,3-benzodioxole unit. In the crystal, C—H⋯π inter­actions between c-glide-related mol­ecules arrange them into columns extending along the c-axis direction. The columns related by a unit translation along the b axis are packed into (100) layers via another C—H⋯π inter­action involving the pyrimidine ring as an acceptor.
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spelling pubmed-37704052013-09-17 2-{4-[(1,3-Benzodioxol-5-yl)meth­yl]piperazin-1-yl}pyrimidine Wu, Chunli Li, Jieming Wei, Huijie Hang, Ye Jiang, Yueming Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(16)H(18)N(4)O(2), known also as peribedil, the dihedral angle between the mean planes of the pyrimidine and benzene rings is 56.5 (8)°. The 1,3-dioxole fragment adopts an envelope conformation with the methyl­ene C atom forming the flap; this atom deviates by 0.232 (3) Å from the plane defined by the remaining atoms of the 1,3-benzodioxole unit. In the crystal, C—H⋯π inter­actions between c-glide-related mol­ecules arrange them into columns extending along the c-axis direction. The columns related by a unit translation along the b axis are packed into (100) layers via another C—H⋯π inter­action involving the pyrimidine ring as an acceptor. International Union of Crystallography 2013-06-22 /pmc/articles/PMC3770405/ /pubmed/24046690 http://dx.doi.org/10.1107/S1600536813016851 Text en © Wu et al. 2013 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
Wu, Chunli
Li, Jieming
Wei, Huijie
Hang, Ye
Jiang, Yueming
2-{4-[(1,3-Benzodioxol-5-yl)meth­yl]piperazin-1-yl}pyrimidine
title 2-{4-[(1,3-Benzodioxol-5-yl)meth­yl]piperazin-1-yl}pyrimidine
title_full 2-{4-[(1,3-Benzodioxol-5-yl)meth­yl]piperazin-1-yl}pyrimidine
title_fullStr 2-{4-[(1,3-Benzodioxol-5-yl)meth­yl]piperazin-1-yl}pyrimidine
title_full_unstemmed 2-{4-[(1,3-Benzodioxol-5-yl)meth­yl]piperazin-1-yl}pyrimidine
title_short 2-{4-[(1,3-Benzodioxol-5-yl)meth­yl]piperazin-1-yl}pyrimidine
title_sort 2-{4-[(1,3-benzodioxol-5-yl)meth­yl]piperazin-1-yl}pyrimidine
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3770405/
https://www.ncbi.nlm.nih.gov/pubmed/24046690
http://dx.doi.org/10.1107/S1600536813016851
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