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4-[(2,4-Dimethyl-1,3-oxazol-5-yl)methyl]-4-hydroxy-2-methylisoquinoline-1,3(2H,4H)-dione
In the title isoquinolinedione derivative, C(16)H(16)N(2)O(4), the piperidine ring in the tetrahydroisoquinoline unit adopts a half-boat conformation. The essentially planar oxazole ring [maximum deviation = 0.004 (2) Å] is inclined at a dihedral angle of 36.00 (8)° to the tetrahydroisoquinoline...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983926/ https://www.ncbi.nlm.nih.gov/pubmed/21580572 http://dx.doi.org/10.1107/S1600536810007397 |
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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 derivative, C(16)H(16)N(2)O(4), the piperidine ring in the tetrahydroisoquinoline unit adopts a half-boat conformation. The essentially planar oxazole ring [maximum deviation = 0.004 (2) Å] is inclined at a dihedral angle of 36.00 (8)° to the tetrahydroisoquinoline unit. In the crystal structure, pairs of intermolecular C—H⋯O and O—H⋯N interactions link the molecules into chains incorporating R (2) (2)(9) ring motifs. Two neighbouring chains are further interconnected by intermolecular C—H⋯O interactions into chains two molecules wide along the a axis. |
format | Text |
id | pubmed-2983926 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29839262010-12-30 4-[(2,4-Dimethyl-1,3-oxazol-5-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 derivative, C(16)H(16)N(2)O(4), the piperidine ring in the tetrahydroisoquinoline unit adopts a half-boat conformation. The essentially planar oxazole ring [maximum deviation = 0.004 (2) Å] is inclined at a dihedral angle of 36.00 (8)° to the tetrahydroisoquinoline unit. In the crystal structure, pairs of intermolecular C—H⋯O and O—H⋯N interactions link the molecules into chains incorporating R (2) (2)(9) ring motifs. Two neighbouring chains are further interconnected by intermolecular C—H⋯O interactions into chains two molecules wide along the a axis. International Union of Crystallography 2010-03-03 /pmc/articles/PMC2983926/ /pubmed/21580572 http://dx.doi.org/10.1107/S1600536810007397 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-[(2,4-Dimethyl-1,3-oxazol-5-yl)methyl]-4-hydroxy-2-methylisoquinoline-1,3(2H,4H)-dione |
title | 4-[(2,4-Dimethyl-1,3-oxazol-5-yl)methyl]-4-hydroxy-2-methylisoquinoline-1,3(2H,4H)-dione |
title_full | 4-[(2,4-Dimethyl-1,3-oxazol-5-yl)methyl]-4-hydroxy-2-methylisoquinoline-1,3(2H,4H)-dione |
title_fullStr | 4-[(2,4-Dimethyl-1,3-oxazol-5-yl)methyl]-4-hydroxy-2-methylisoquinoline-1,3(2H,4H)-dione |
title_full_unstemmed | 4-[(2,4-Dimethyl-1,3-oxazol-5-yl)methyl]-4-hydroxy-2-methylisoquinoline-1,3(2H,4H)-dione |
title_short | 4-[(2,4-Dimethyl-1,3-oxazol-5-yl)methyl]-4-hydroxy-2-methylisoquinoline-1,3(2H,4H)-dione |
title_sort | 4-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-4-hydroxy-2-methylisoquinoline-1,3(2h,4h)-dione |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983926/ https://www.ncbi.nlm.nih.gov/pubmed/21580572 http://dx.doi.org/10.1107/S1600536810007397 |
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