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(2S)-2-(4-Ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4-hydroxyphenyl)acetic acid
There are two molecules in the asymmetric unit of the title compound, C(15)H(17)N(3)O(6). The 2,3-dioxopiperazine ring adopts a half-chair conformation with torsion angles of −7.6 (4) and 35.1 (4)° in one molecule, and 5.3 (4) and 45.4 (4)° in the other molecule. In the crystal structure, the car...
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/PMC3007271/ https://www.ncbi.nlm.nih.gov/pubmed/21588240 http://dx.doi.org/10.1107/S1600536810025262 |
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author | Wang, Qian Hu, Ling Ma, Jian-Ping Guo, Dian-Shun |
author_facet | Wang, Qian Hu, Ling Ma, Jian-Ping Guo, Dian-Shun |
author_sort | Wang, Qian |
collection | PubMed |
description | There are two molecules in the asymmetric unit of the title compound, C(15)H(17)N(3)O(6). The 2,3-dioxopiperazine ring adopts a half-chair conformation with torsion angles of −7.6 (4) and 35.1 (4)° in one molecule, and 5.3 (4) and 45.4 (4)° in the other molecule. In the crystal structure, the carboxy groups are involved in classical inversion-related O—H⋯O hydrogen bonds, which link the molecules into centrosymmetric dimers. These dimers are further linked by intermolecular O—H⋯O and C—H⋯O hydrogen bonds. Each independent molecule also exhibits an intramolecular N—H⋯O hydrogen bond. The H atoms of the carboxy groups are disordered over two positions, with refined site-occupancy factors of 0.5. |
format | Text |
id | pubmed-3007271 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30072712010-12-30 (2S)-2-(4-Ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4-hydroxyphenyl)acetic acid Wang, Qian Hu, Ling Ma, Jian-Ping Guo, Dian-Shun Acta Crystallogr Sect E Struct Rep Online Organic Papers There are two molecules in the asymmetric unit of the title compound, C(15)H(17)N(3)O(6). The 2,3-dioxopiperazine ring adopts a half-chair conformation with torsion angles of −7.6 (4) and 35.1 (4)° in one molecule, and 5.3 (4) and 45.4 (4)° in the other molecule. In the crystal structure, the carboxy groups are involved in classical inversion-related O—H⋯O hydrogen bonds, which link the molecules into centrosymmetric dimers. These dimers are further linked by intermolecular O—H⋯O and C—H⋯O hydrogen bonds. Each independent molecule also exhibits an intramolecular N—H⋯O hydrogen bond. The H atoms of the carboxy groups are disordered over two positions, with refined site-occupancy factors of 0.5. International Union of Crystallography 2010-07-03 /pmc/articles/PMC3007271/ /pubmed/21588240 http://dx.doi.org/10.1107/S1600536810025262 Text en © Wang 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 Wang, Qian Hu, Ling Ma, Jian-Ping Guo, Dian-Shun (2S)-2-(4-Ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4-hydroxyphenyl)acetic acid |
title | (2S)-2-(4-Ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4-hydroxyphenyl)acetic acid |
title_full | (2S)-2-(4-Ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4-hydroxyphenyl)acetic acid |
title_fullStr | (2S)-2-(4-Ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4-hydroxyphenyl)acetic acid |
title_full_unstemmed | (2S)-2-(4-Ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4-hydroxyphenyl)acetic acid |
title_short | (2S)-2-(4-Ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4-hydroxyphenyl)acetic acid |
title_sort | (2s)-2-(4-ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4-hydroxyphenyl)acetic acid |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007271/ https://www.ncbi.nlm.nih.gov/pubmed/21588240 http://dx.doi.org/10.1107/S1600536810025262 |
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