Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 6 (June 2013)

organic compounds

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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