The title compound, C12H23NO2·0.5H2O, crystallized with two 2-(1-amino-4-tert-butylcyclohexyl)acetic acid mol-ecules, which are present as zwitterions, and one water mol-ecule in the asymmetric unit. The mol-ecular structure of each zwitterion is stabilized by an intra-molecular six-membered (C 6 ) N-Hâ¯O hydrogen bond. In the crystal, the two independent zwitterions are linked head-to-head by N-Hâ¯O hydrogen bonds. Further O-Hâ¯O and N-Hâ¯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.
2-(1-Amino-4-tert-butyl-cyclo-hex-yl)acetic acid (tBu-β(3,3)-Ac6c) hemihydrate.
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作者:Ahmad Wani Naiem, Gupta Vivek K, Kant Rajni, Aravinda Subrayashastry, Rai Rajkishor
| 期刊: | Acta Crystallographica Section E-Structure Reports Online | 影响因子: | 0.600 |
| 时间: | 2013 | 起止号: | 2013 May 15; 69(Pt 6):o888 |
| doi: | 10.1107/S1600536813012725 | ||
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