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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...

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Autores principales: Qu, Peng, Wu, Zhi-Yong, Zhu, Wei-Ming
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
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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.
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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
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