Publication details
1-Adamantylmethyl 2-aminobenzoate
| Authors | |
|---|---|
| Year of publication | 2010 |
| Type | Article in Periodical |
| Magazine / Source | Acta Crystallographica Section E: Structure Reports Online |
| MU Faculty or unit | |
| Citation | |
| Web | https://doi.org/10.1107/S1600536810047276 |
| Doi | http://dx.doi.org/10.1107/S1600536810047276 |
| Keywords | single-crystal X-ray study; T = 120 K; mean (C–C) = 0.003 angstrom; R factor = 0.039; wR factor = 0.061; data-to-parameter ratio = 13.7 |
| Description | The asymmetric unit of the title compound, C18H23NO2, consists of two crystallographically independent molecules bearing an adamantane cage consisting of three fused cyclohexane rings in almost ideal chair conformations, with C-C-C angles in the range 108.47 (16)-110.59 (15)degrees. Both aryl rings are essentially planar, the maximum deviation from the best plane being 0.0125 (19) angstrom. One conformer forms chains parallel to the b axis via N-H center dot center dot center dot O hydrogen bonds, whereas the second exhibits only an intramolecular N-H center dot center dot center dot O hydrogen bond. The crystal structure is stabilized by further weak N-H center dot center dot center dot O and N-H center dot center dot center dot N interactions. |