Cargando…

(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...

Descripción completa

Detalles Bibliográficos
Autores principales: Wang, Qian, Hu, Ling, Ma, Jian-Ping, Guo, Dian-Shun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
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
_version_ 1782194316675907584
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
work_keys_str_mv AT wangqian 2s24ethyl23dioxopiperazine1carboxamido24hydroxyphenylaceticacid
AT huling 2s24ethyl23dioxopiperazine1carboxamido24hydroxyphenylaceticacid
AT majianping 2s24ethyl23dioxopiperazine1carboxamido24hydroxyphenylaceticacid
AT guodianshun 2s24ethyl23dioxopiperazine1carboxamido24hydroxyphenylaceticacid