Acta Crystallographica Section E (Jun 2013)

2-(1-Amino-4-tert-butylcyclohexyl)acetic acid (tBu-β3,3-Ac6c) hemihydrateIIIM communication number IIIM/1552/2013.

  • Naiem Ahmad Wani,
  • Vivek K. Gupta,
  • Rajni Kant,
  • Subrayashastry Aravinda,
  • Rajkishor Rai

DOI
https://doi.org/10.1107/S1600536813012725
Journal volume & issue
Vol. 69, no. 6
pp. o888 – o888

Abstract

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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.