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[(2R,3R)-3-(4-Nitro-phen-yl)aziridin-2-yl]methanol monohydrate.

ABSTRACT: The title monohydrate, C9H10N2O3·H2O, contains an aziridine ring including two contiguous stereocenters, both of which exhibit an R configuration. The methyl-hydroxy and nitro-phenyl groups are cis-disposed about the aziridine ring. The mean plane of the benzene ring is tilted to the aziridine ring by 66.65?(8)°. The nitro group is nearly coplanar with the benzene ring [dihedral angle = 2.5?(2)°]. In the crystal, the components are linked by N-H?O, O-H?N and O-H?O hydrogen bonds, generating supra-molecular layers parallel to (001).

SUBMITTER: Gaumet V

PROVIDER: S-EPMC3685076 | biostudies-literature | 2013 Jun

REPOSITORIES: biostudies-literature

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[(2R,3R)-3-(4-Nitro-phen-yl)aziridin-2-yl]methanol monohydrate.

Gaumet V V Denis C C Leal F F Madesclaire M M Zaitsev V P VP

Acta crystallographica. Section E, Structure reports online 20130518 Pt 6

The title monohydrate, C9H10N2O3·H2O, contains an aziridine ring including two contiguous stereocenters, both of which exhibit an R configuration. The methyl-hydroxy and nitro-phenyl groups are cis-disposed about the aziridine ring. The mean plane of the benzene ring is tilted to the aziridine ring by 66.65 (8)°. The nitro group is nearly coplanar with the benzene ring [dihedral angle = 2.5 (2)°]. In the crystal, the components are linked by N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds, generating supr ...[more]

PMID: 23795095

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