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4-[(2,5-Dimethyl-1,3-thia­zol-4-yl)meth­yl]-4-hydr­oxy-2-methyl­isoquinoline-1,3(2H,4H)-dione

In the title isoquinoline­dione compound, C(16)H(16)N(2)O(3)S, the piperidine ring in the tetra­hydro­isoquinoline ring system adopts a half-boat conformation. The essentially planar thia­zole ring [maximum deviation = 0.007 (2) Å] makes a dihedral angle of 34.49 (7)° with the mean plane through the...

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Detalles Bibliográficos
Autores principales: Fun, Hoong-Kun, Goh, Jia Hao, Yu, Haitao, Zhang, Yan
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983771/
https://www.ncbi.nlm.nih.gov/pubmed/21580766
http://dx.doi.org/10.1107/S1600536810011141
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author Fun, Hoong-Kun
Goh, Jia Hao
Yu, Haitao
Zhang, Yan
author_facet Fun, Hoong-Kun
Goh, Jia Hao
Yu, Haitao
Zhang, Yan
author_sort Fun, Hoong-Kun
collection PubMed
description In the title isoquinoline­dione compound, C(16)H(16)N(2)O(3)S, the piperidine ring in the tetra­hydro­isoquinoline ring system adopts a half-boat conformation. The essentially planar thia­zole ring [maximum deviation = 0.007 (2) Å] makes a dihedral angle of 34.49 (7)° with the mean plane through the tetra­hydro­isoquinoline ring system. In the crystal structure, two neighbouring mol­ecules are linked via pairs of O—H⋯N and C—H⋯O hydrogen bonds into inversion-related dimers incorporating R (2) (2)(9) hydrogen-bond ring motifs. These dimers are further linked by weak inter­molecular C—H⋯π inter­actions.
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spelling pubmed-29837712010-12-30 4-[(2,5-Dimethyl-1,3-thia­zol-4-yl)meth­yl]-4-hydr­oxy-2-methyl­isoquinoline-1,3(2H,4H)-dione Fun, Hoong-Kun Goh, Jia Hao Yu, Haitao Zhang, Yan Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title isoquinoline­dione compound, C(16)H(16)N(2)O(3)S, the piperidine ring in the tetra­hydro­isoquinoline ring system adopts a half-boat conformation. The essentially planar thia­zole ring [maximum deviation = 0.007 (2) Å] makes a dihedral angle of 34.49 (7)° with the mean plane through the tetra­hydro­isoquinoline ring system. In the crystal structure, two neighbouring mol­ecules are linked via pairs of O—H⋯N and C—H⋯O hydrogen bonds into inversion-related dimers incorporating R (2) (2)(9) hydrogen-bond ring motifs. These dimers are further linked by weak inter­molecular C—H⋯π inter­actions. International Union of Crystallography 2010-03-27 /pmc/articles/PMC2983771/ /pubmed/21580766 http://dx.doi.org/10.1107/S1600536810011141 Text en © Fun 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
Fun, Hoong-Kun
Goh, Jia Hao
Yu, Haitao
Zhang, Yan
4-[(2,5-Dimethyl-1,3-thia­zol-4-yl)meth­yl]-4-hydr­oxy-2-methyl­isoquinoline-1,3(2H,4H)-dione
title 4-[(2,5-Dimethyl-1,3-thia­zol-4-yl)meth­yl]-4-hydr­oxy-2-methyl­isoquinoline-1,3(2H,4H)-dione
title_full 4-[(2,5-Dimethyl-1,3-thia­zol-4-yl)meth­yl]-4-hydr­oxy-2-methyl­isoquinoline-1,3(2H,4H)-dione
title_fullStr 4-[(2,5-Dimethyl-1,3-thia­zol-4-yl)meth­yl]-4-hydr­oxy-2-methyl­isoquinoline-1,3(2H,4H)-dione
title_full_unstemmed 4-[(2,5-Dimethyl-1,3-thia­zol-4-yl)meth­yl]-4-hydr­oxy-2-methyl­isoquinoline-1,3(2H,4H)-dione
title_short 4-[(2,5-Dimethyl-1,3-thia­zol-4-yl)meth­yl]-4-hydr­oxy-2-methyl­isoquinoline-1,3(2H,4H)-dione
title_sort 4-[(2,5-dimethyl-1,3-thia­zol-4-yl)meth­yl]-4-hydr­oxy-2-methyl­isoquinoline-1,3(2h,4h)-dione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983771/
https://www.ncbi.nlm.nih.gov/pubmed/21580766
http://dx.doi.org/10.1107/S1600536810011141
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