crystal structure of (+)-methyl (e)-3-[(2s,4s,5r)-2-amino-5-hydroxymethyl-2-trichloromethyl-1,3-dioxolan-4-yl]-2-methylprop-2-enoate

crystal structure of (+)-methyl (e)-3-[(2s,4s,5r)-2-amino-5-hydroxymethyl-2-trichloromethyl-1,3-dioxolan-4-yl]-2-methylprop-2-enoate

;Takeshi Oishi;Daichi Yasushima;Kihiro Yuasa;Takaaki Sato;Noritaka Chida
Disability and rehabilitation 2016 Vol. 72 pp. 343-346
91
oishi2016actacrystal

Abstract

In the title compound, C10H14Cl3NO5, the five-membered dioxolane ring adopts an envelope conformation. The C atom at the flap, which is bonded to the hydroxymethyl substituent, deviates from the mean plane of other ring atoms by 0.357 (5) Å. There are two intramolecular hydrogen bonds (O—H...N and N—H...O) between the hydroxy and amino groups, so that O- and N-bound H atoms involved in these hydrogen bonds are each disordered with equal occupancies of 0.50. The methyl 2-methylprop-2-enoate substituent also shows a disordered structure over two sets of sites with refined occupancies of 0.482 (5) and 0.518 (5). In the crystal, molecules are connected into a dimer by an O—H...O hydrogen bond. The dimers are further linked by N—H...O, C—H...N and C—H...O interactions, extending a sheet structure parallel to (\overline{1}01).

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Ref Key: oishi2016actacrystal
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