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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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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 |
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. |
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