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Crystal structure of 7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-chromen-2-one
In the title compound, C(15)H(18)N(2)O(3), the coumarin ring is essentially planar, with an r.m.s. deviation of 0.012 Å. An intramolecular O—H⋯N hydrogen bond forms an S(6) ring motif. The piperazine ring adopts a chair conformation. In the crystal, a C—H⋯O hydrogen bond generates a C(4) chain moti...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5137600/ https://www.ncbi.nlm.nih.gov/pubmed/27980822 http://dx.doi.org/10.1107/S2056989016017217 |
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author | Kubono, Koji Kise, Ryuma Kashiwagi, Yukiyasu Tani, Keita Yokoi, Kunihiko |
author_facet | Kubono, Koji Kise, Ryuma Kashiwagi, Yukiyasu Tani, Keita Yokoi, Kunihiko |
author_sort | Kubono, Koji |
collection | PubMed |
description | In the title compound, C(15)H(18)N(2)O(3), the coumarin ring is essentially planar, with an r.m.s. deviation of 0.012 Å. An intramolecular O—H⋯N hydrogen bond forms an S(6) ring motif. The piperazine ring adopts a chair conformation. In the crystal, a C—H⋯O hydrogen bond generates a C(4) chain motif running along the c axis. The chain structure is stabilized by a C—H⋯π interaction. The chains are linked by π–π interactions [centroid–centroid distance of 3.5745 (11) Å], forming a sheet structure parallel to the bc plane. |
format | Online Article Text |
id | pubmed-5137600 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-51376002016-12-15 Crystal structure of 7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-chromen-2-one Kubono, Koji Kise, Ryuma Kashiwagi, Yukiyasu Tani, Keita Yokoi, Kunihiko Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(15)H(18)N(2)O(3), the coumarin ring is essentially planar, with an r.m.s. deviation of 0.012 Å. An intramolecular O—H⋯N hydrogen bond forms an S(6) ring motif. The piperazine ring adopts a chair conformation. In the crystal, a C—H⋯O hydrogen bond generates a C(4) chain motif running along the c axis. The chain structure is stabilized by a C—H⋯π interaction. The chains are linked by π–π interactions [centroid–centroid distance of 3.5745 (11) Å], forming a sheet structure parallel to the bc plane. International Union of Crystallography 2016-11-04 /pmc/articles/PMC5137600/ /pubmed/27980822 http://dx.doi.org/10.1107/S2056989016017217 Text en © Kubono et al. 2016 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 | Research Communications Kubono, Koji Kise, Ryuma Kashiwagi, Yukiyasu Tani, Keita Yokoi, Kunihiko Crystal structure of 7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-chromen-2-one |
title | Crystal structure of 7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-chromen-2-one |
title_full | Crystal structure of 7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-chromen-2-one |
title_fullStr | Crystal structure of 7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-chromen-2-one |
title_full_unstemmed | Crystal structure of 7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-chromen-2-one |
title_short | Crystal structure of 7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-chromen-2-one |
title_sort | crystal structure of 7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2h-chromen-2-one |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5137600/ https://www.ncbi.nlm.nih.gov/pubmed/27980822 http://dx.doi.org/10.1107/S2056989016017217 |
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