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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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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. |
format | Online Article Text |
id | pubmed-3770405 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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