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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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Detalles Bibliográficos
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
Descripción
Sumario: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.