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

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

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 pl...

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Main Authors: Gustavo Pozza Silveira, Vinicius Flores da Silva, Allen G. Oliver
Format: Article
Language:English
Published: International Union of Crystallography 2014-12-01
Series:Acta Crystallographica Section E
Subjects:
crystal structure
oxazolidinone
asymmetric indole
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536814024702
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spelling doaj-a9d033c7a9214926900bea042196a9e12020-11-25T01:22:56ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682014-12-017012o1257o125810.1107/S1600536814024702hb7309Crystal structure of (4R,5S)-4-methyl-3-methylsulfinyl-5-phenyl-1,3-oxazolidin-2-oneGustavo Pozza Silveira0Vinicius Flores da Silva1Allen G. Oliver2Universidade Federal do Rio Grande do Sul, Instituto de Química Depto. Química Orgânica, Av. Bento Gonçalves, 9500 Agronomia, CEP 91.501-970, Porto Alegre/RS, BrazilUniversidade Federal do Rio Grande do Sul, Instituto de Química Depto. Química Orgânica, Av. Bento Gonçalves, 9500 Agronomia, CEP 91.501-970, Porto Alegre/RS, BrazilUniversity of Notre Dame, Department of Chemistry and Biochemistry, 235 Nieuwland Science Hall, Notre Dame, IN 46556-5670, USAThe 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 interactions beyond van der Waals contacts are observed. http://scripts.iucr.org/cgi-bin/paper?S1600536814024702crystal structureoxazolidinoneasymmetric indole
collection DOAJ
language English
format Article
sources DOAJ
author Gustavo Pozza Silveira
Vinicius Flores da Silva
Allen G. Oliver
spellingShingle Gustavo Pozza Silveira
Vinicius Flores da Silva
Allen G. Oliver
Crystal structure of (4R,5S)-4-methyl-3-methylsulfinyl-5-phenyl-1,3-oxazolidin-2-one
Acta Crystallographica Section E
crystal structure
oxazolidinone
asymmetric indole
author_facet Gustavo Pozza Silveira
Vinicius Flores da Silva
Allen G. Oliver
author_sort Gustavo Pozza Silveira
title Crystal structure of (4R,5S)-4-methyl-3-methylsulfinyl-5-phenyl-1,3-oxazolidin-2-one
title_short Crystal structure of (4R,5S)-4-methyl-3-methylsulfinyl-5-phenyl-1,3-oxazolidin-2-one
title_full Crystal structure of (4R,5S)-4-methyl-3-methylsulfinyl-5-phenyl-1,3-oxazolidin-2-one
title_fullStr Crystal structure of (4R,5S)-4-methyl-3-methylsulfinyl-5-phenyl-1,3-oxazolidin-2-one
title_full_unstemmed Crystal structure of (4R,5S)-4-methyl-3-methylsulfinyl-5-phenyl-1,3-oxazolidin-2-one
title_sort crystal structure of (4r,5s)-4-methyl-3-methylsulfinyl-5-phenyl-1,3-oxazolidin-2-one
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2014-12-01
description 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 interactions beyond van der Waals contacts are observed.
topic crystal structure
oxazolidinone
asymmetric indole
url http://scripts.iucr.org/cgi-bin/paper?S1600536814024702
work_keys_str_mv AT gustavopozzasilveira crystalstructureof4r5s4methyl3methylsulfinyl5phenyl13oxazolidin2one
AT viniciusfloresdasilva crystalstructureof4r5s4methyl3methylsulfinyl5phenyl13oxazolidin2one
AT allengoliver crystalstructureof4r5s4methyl3methylsulfinyl5phenyl13oxazolidin2one
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