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...

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Autores principales: Kubono, Koji, Kise, Ryuma, Kashiwagi, Yukiyasu, Tani, Keita, Yokoi, Kunihiko
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Research Communications
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.
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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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