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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...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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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. |
format | Text |
id | pubmed-2983771 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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