Cargando…
Redetermined structure of oxaline: absolute configuration using Cu Kα radiation
In the title compound, C(24)H(25)N(5)O(4), the stereogenic C atom bonded to three N atoms and one C atom has an S configuration and its directly bonded neighbour has an R configuration. An intramolecular N—H⋯O hydrogen bond supports the near coplanarity of the two C(3)N(2)-five-membered rings [dihe...
Autores principales: | , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379231/ https://www.ncbi.nlm.nih.gov/pubmed/22719429 http://dx.doi.org/10.1107/S1600536812019423 |
_version_ | 1782236152406736896 |
---|---|
author | Qu, Peng Wu, Zhi-Yong Zhu, Wei-Ming |
author_facet | Qu, Peng Wu, Zhi-Yong Zhu, Wei-Ming |
author_sort | Qu, Peng |
collection | PubMed |
description | In the title compound, C(24)H(25)N(5)O(4), the stereogenic C atom bonded to three N atoms and one C atom has an S configuration and its directly bonded neighbour has an R configuration. An intramolecular N—H⋯O hydrogen bond supports the near coplanarity of the two C(3)N(2)-five-membered rings [dihedral angle = 5.64 (10)°]. In the crystal, molecules are linked by N—H⋯N hydrogen bonds, forming a C(8) chain propagating in [001]. The chains are connected by C—H⋯O interactions, generating a three-dimensional network. The previous study [Nagel et al. (1974 ▶). Chem. Commun. pp. 1021–1022] did not establish the absolute structure and no atomic coordinates were published or deposited. |
format | Online Article Text |
id | pubmed-3379231 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33792312012-06-20 Redetermined structure of oxaline: absolute configuration using Cu Kα radiation Qu, Peng Wu, Zhi-Yong Zhu, Wei-Ming Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(24)H(25)N(5)O(4), the stereogenic C atom bonded to three N atoms and one C atom has an S configuration and its directly bonded neighbour has an R configuration. An intramolecular N—H⋯O hydrogen bond supports the near coplanarity of the two C(3)N(2)-five-membered rings [dihedral angle = 5.64 (10)°]. In the crystal, molecules are linked by N—H⋯N hydrogen bonds, forming a C(8) chain propagating in [001]. The chains are connected by C—H⋯O interactions, generating a three-dimensional network. The previous study [Nagel et al. (1974 ▶). Chem. Commun. pp. 1021–1022] did not establish the absolute structure and no atomic coordinates were published or deposited. International Union of Crystallography 2012-05-05 /pmc/articles/PMC3379231/ /pubmed/22719429 http://dx.doi.org/10.1107/S1600536812019423 Text en © Qu et al. 2012 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 Qu, Peng Wu, Zhi-Yong Zhu, Wei-Ming Redetermined structure of oxaline: absolute configuration using Cu Kα radiation |
title | Redetermined structure of oxaline: absolute configuration using Cu Kα radiation |
title_full | Redetermined structure of oxaline: absolute configuration using Cu Kα radiation |
title_fullStr | Redetermined structure of oxaline: absolute configuration using Cu Kα radiation |
title_full_unstemmed | Redetermined structure of oxaline: absolute configuration using Cu Kα radiation |
title_short | Redetermined structure of oxaline: absolute configuration using Cu Kα radiation |
title_sort | redetermined structure of oxaline: absolute configuration using cu kα radiation |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379231/ https://www.ncbi.nlm.nih.gov/pubmed/22719429 http://dx.doi.org/10.1107/S1600536812019423 |
work_keys_str_mv | AT qupeng redeterminedstructureofoxalineabsoluteconfigurationusingcukaradiation AT wuzhiyong redeterminedstructureofoxalineabsoluteconfigurationusingcukaradiation AT zhuweiming redeterminedstructureofoxalineabsoluteconfigurationusingcukaradiation |