Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 6 (June 2013)


organic compounds



kp2453 scheme

Acta Cryst. (2013). E69, o927    [ doi:10.1107/S1600536813013391 ]

[(2R,3R)-3-(4-Nitrophenyl)aziridin-2-yl]methanol monohydrate

V. Gaumet, C. Denis, F. Leal, M. Madesclaire and V. P. Zaitsev

Abstract: The title monohydrate, C9H10N2O3·H2O, contains an aziridine ring including two contiguous stereocenters, both of which exhibit an R configuration. The methylhydroxy and nitrophenyl 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 supramolecular layers parallel to (001).


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