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(4-Benzyl-2-oxo-1,3-oxazolidin-5-yl)methyl methane-sulfonate.

ABSTRACT: The title compound, C(12)H(15)NO(5)S, features an approximately planar five-membered oxazolidin ring (r.m.s. deviation = 0.045 Å) with the peripheral benzyl and methyl methane-sulfonate residues lying to either side of the plane. In the crystal, N-H⋯O hydrogen bonds, involving one of the sulfur-bound oxo groups as acceptor, lead to the formation of supra-molecular chains along the b axis. These chains are reinforced by C-H⋯O contacts with the carbonyl O atom accepting three such inter-actions. The structure was refined as a racemic twin, with the major component being present 89% of the time.

SUBMITTER: Cunico W

PROVIDER: S-EPMC2979937 | biostudies-literature | 2010 Jan

REPOSITORIES: biostudies-literature

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(4-Benzyl-2-oxo-1,3-oxazolidin-5-yl)methyl methane-sulfonate.

Cunico Wilson W Gomes Claudia R B CR Tiekink Edward R T ER Vellasco Junior Walcimar T WT Wardell James L JL Wardell Solange M S V SM

Acta crystallographica. Section E, Structure reports online 20100109 Pt 2

The title compound, C(12)H(15)NO(5)S, features an approximately planar five-membered oxazolidin ring (r.m.s. deviation = 0.045 Å) with the peripheral benzyl and methyl methane-sulfonate residues lying to either side of the plane. In the crystal, N-H⋯O hydrogen bonds, involving one of the sulfur-bound oxo groups as acceptor, lead to the formation of supra-molecular chains along the b axis. These chains are reinforced by C-H⋯O contacts with the carbonyl O atom accepting three such inter-actions. T ...[more]

PMID: 21579707

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