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Acta Cryst. (2013). E69, o888
[ doi:10.1107/S1600536813012725 ]

2-(1-Amino-4-tert-butylcyclohexyl)acetic acid (tBu-[beta]3,3-Ac6c) hemihydrate

N. Ahmad Wani, V. K. Gupta, R. Kant, S. Aravinda and R. Rai

Abstract: The title compound, C12H23NO2·0.5H2O, crystallized with two 2-(1-amino-4-tert-butylcyclohexyl)acetic acid molecules, which are present as zwitterions, and one water molecule in the asymmetric unit. The molecular structure of each zwitterion is stabilized by an intramolecular six-membered (C6 ) N-H...O hydrogen bond. In the crystal, the two independent zwitterions are linked head-to-head by N-H...O hydrogen bonds. Further O-H...O and N-H...O hydrogen bonds link the zwitterions and the water molecules, forming sandwich-like layers, with a hydrophilic filling and a hydrophobic exterior, lying parallel to the ab plane.


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