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Crystal structure of ?-benzyl dl-aspartate N-carb-oxyanhydride.

ABSTRACT: In the title racemic compound, C₁₂H₁₁NO₅ [systematic name: benzyl 2-(2,5-dioxooxazolidin-4-yl)acetate], the oxazolidine ring is planar, with an r.m.s. deviation of 0.03?Å. The benzyl ring is almost normal to the oxazolidine ring, making a dihedral angle of 80.11?(12)°. In the crystal, inversion dimers are formed between the l- and d-enanti-omers via pairs of N-H?O hydrogen bonds. This arrangement is favourable for the polymerization of the compound in the solid state. The dimers are linked by C-H?O hydrogen bonds, forming layers parallel to the ab plane.

SUBMITTER: Kanazawa H

PROVIDER: S-EPMC5347073 | biostudies-literature | 2017 Mar

REPOSITORIES: biostudies-literature

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Crystal structure of β-benzyl dl-aspartate N-carb-oxyanhydride.

Kanazawa Hitoshi H Inada Aya A

Acta crystallographica. Section E, Crystallographic communications 20170224 Pt 3

In the title racemic compound, C12H11NO5 [systematic name: benzyl 2-(2,5-dioxooxazolidin-4-yl)acetate], the oxazolidine ring is planar, with an r.m.s. deviation of 0.03 Å. The benzyl ring is almost normal to the oxazolidine ring, making a dihedral angle of 80.11 (12)°. In the crystal, inversion dimers are formed between the l- and d-enanti-omers via pairs of N-H⋯O hydrogen bonds. This arrangement is favourable for the polymerization of the compound in the ...[more]

PMID: 28316828

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