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Redetermined structure of oxaline: absolute configuration using Cu Kα radiation.

Qu P, Wu ZY, Zhu WM - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: 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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Affiliation: Key Laboratory of Marine Drugs of the Ministry of Education of China, School of Medicine and Pharmacy, Ocean University of China, 266003 Qingdao, People's Republic of China.

ABSTRACT
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 intra-molecular 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, mol-ecules are linked by N-H⋯N hydrogen bonds, forming a C(8) chain propagating in [001]. The chains are connected by C-H⋯O inter-actions, 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.

No MeSH data available.


The molecular structure of (I), with displacement ellipsoids shown at the 50% probability level. Dashed lines indicates a intramolecular hydrogen bond.
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Fap1: The molecular structure of (I), with displacement ellipsoids shown at the 50% probability level. Dashed lines indicates a intramolecular hydrogen bond.


Redetermined structure of oxaline: absolute configuration using Cu Kα radiation.

Qu P, Wu ZY, Zhu WM - Acta Crystallogr Sect E Struct Rep Online (2012)

The molecular structure of (I), with displacement ellipsoids shown at the 50% probability level. Dashed lines indicates a intramolecular hydrogen bond.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3379231&req=5

Fap1: The molecular structure of (I), with displacement ellipsoids shown at the 50% probability level. Dashed lines indicates a intramolecular hydrogen bond.
Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

Affiliation: Key Laboratory of Marine Drugs of the Ministry of Education of China, School of Medicine and Pharmacy, Ocean University of China, 266003 Qingdao, People's Republic of China.

ABSTRACT
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 intra-molecular 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, mol-ecules are linked by N-H⋯N hydrogen bonds, forming a C(8) chain propagating in [001]. The chains are connected by C-H⋯O inter-actions, 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.

No MeSH data available.