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Crystal structure of (4R,5S)-4-methyl-3-methyl-sulfinyl-5-phenyl-1,3-oxazolidin-2-one.

Silveira GP, da Silva VF, Oliver AG - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: The absolute structure of the chiral asymmetric indole precursor title compound, C11H13NO3S, was confirmed by refinement of the Flack and Hooft parameters and is that expected based on the starting materials for the synthesis.The phenyl group subtends a dihedral angle of 56.40 (5)° with the mean plane of the oxazolidinone ring, which adopts an envelope conformation, with the C atom bearing the methyl group as the flap.In the crystal, no significant directional inter-actions beyond van der Waals contacts are observed.

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Affiliation: Universidade Federal do Rio Grande do Sul, Instituto de Química Depto. Química Orgânica, Av. Bento Gonçalves, 9500 Agronomia, CEP 91.501-970, Porto Alegre/RS, Brazil.

ABSTRACT
The absolute structure of the chiral asymmetric indole precursor title compound, C11H13NO3S, was confirmed by refinement of the Flack and Hooft parameters and is that expected based on the starting materials for the synthesis. The phenyl group subtends a dihedral angle of 56.40 (5)° with the mean plane of the oxazolidinone ring, which adopts an envelope conformation, with the C atom bearing the methyl group as the flap. In the crystal, no significant directional inter-actions beyond van der Waals contacts are observed.

No MeSH data available.


Labelling scheme for (4R,5S)-4-methyl-3-methylsulfinyl-5-phenyl-1,3-oxazolidin-2-one. Thermal displacement ellipsoids are depicted at the 50% probability level.
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Fap1: Labelling scheme for (4R,5S)-4-methyl-3-methylsulfinyl-5-phenyl-1,3-oxazolidin-2-one. Thermal displacement ellipsoids are depicted at the 50% probability level.


Crystal structure of (4R,5S)-4-methyl-3-methyl-sulfinyl-5-phenyl-1,3-oxazolidin-2-one.

Silveira GP, da Silva VF, Oliver AG - Acta Crystallogr Sect E Struct Rep Online (2014)

Labelling scheme for (4R,5S)-4-methyl-3-methylsulfinyl-5-phenyl-1,3-oxazolidin-2-one. Thermal displacement ellipsoids are depicted at the 50% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257383&req=5

Fap1: Labelling scheme for (4R,5S)-4-methyl-3-methylsulfinyl-5-phenyl-1,3-oxazolidin-2-one. Thermal displacement ellipsoids are depicted at the 50% probability level.
Bottom Line: The absolute structure of the chiral asymmetric indole precursor title compound, C11H13NO3S, was confirmed by refinement of the Flack and Hooft parameters and is that expected based on the starting materials for the synthesis.The phenyl group subtends a dihedral angle of 56.40 (5)° with the mean plane of the oxazolidinone ring, which adopts an envelope conformation, with the C atom bearing the methyl group as the flap.In the crystal, no significant directional inter-actions beyond van der Waals contacts are observed.

View Article: PubMed Central - HTML - PubMed

Affiliation: Universidade Federal do Rio Grande do Sul, Instituto de Química Depto. Química Orgânica, Av. Bento Gonçalves, 9500 Agronomia, CEP 91.501-970, Porto Alegre/RS, Brazil.

ABSTRACT
The absolute structure of the chiral asymmetric indole precursor title compound, C11H13NO3S, was confirmed by refinement of the Flack and Hooft parameters and is that expected based on the starting materials for the synthesis. The phenyl group subtends a dihedral angle of 56.40 (5)° with the mean plane of the oxazolidinone ring, which adopts an envelope conformation, with the C atom bearing the methyl group as the flap. In the crystal, no significant directional inter-actions beyond van der Waals contacts are observed.

No MeSH data available.