2-(1-Amino-4-tert-butyl­cyclo­hex­yl)acetic acid (tBu-β(3,3)-Ac(6)c) hemihydrate

The title compound, C(12)H(23)NO(2)·0.5H(2)O, 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...

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Detalles Bibliográficos
Autores principales: Ahmad Wani, Naiem, Gupta, Vivek K., Kant, Rajni, Aravinda, Subrayashastry, Rai, Rajkishor
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3685045/
https://www.ncbi.nlm.nih.gov/pubmed/23795064
http://dx.doi.org/10.1107/S1600536813012725
Descripción
Sumario:The title compound, C(12)H(23)NO(2)·0.5H(2)O, 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 (C (6) ) 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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