Faculté des sciences

rac-Methyl 4-azido-3-hydroxy-3-(2-nitrophenyl)butanoate

Vallat, Oliver ; Buciumas, Ana-Maria ; Neier, Reinhard ; Stoeckli-Evans, Helen

In: Acta Crystallographica Section E : Structure Reports Online, 2009, vol. E65, no. 2, p. o396-o397, sup1-8

In the title compound, C11H12N4O5, the mean plane through the nitro substituent on the benzene ring is inclined to the benzene mean plane by 85.8 (2)°, which avoids steric interactions with the ortho substituents. The hydroxy group is involved in bifurcated hydrogen bonds. The first is an intramolecular O-H···O hydrogen bond, involving the... Plus

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    Summary
    In the title compound, C11H12N4O5, the mean plane through the nitro substituent on the benzene ring is inclined to the benzene mean plane by 85.8 (2)°, which avoids steric interactions with the ortho substituents. The hydroxy group is involved in bifurcated hydrogen bonds. The first is an intramolecular O-H···O hydrogen bond, involving the ester carbonyl O atom, which gives rise to the formation of a boat-like hydrogen-bonded chelate ring. The second is an intermolecular O-H···N hydrogen bond involving the first N atom of the azide group of a symmetry-related molecule. In the crystal structure this leads to the formation of a polmer chain extending in the c-axis direction.