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1-Adamantylmethyl 2-amino-benzoate.

ABSTRACT: The asymmetric unit of the title compound, C(18)H(23)NO(2), consists of two crystallographically independent mol-ecules bearing an adamantane cage consisting of three fused cyclo-hexane rings in almost ideal chair conformations, with C-C-C angles in the range 108.47?(16)-110.59?(15)°. Both aryl rings are essentially planar, the maximum deviation from the best plane being 0.0125?(19)?Å. One conformer forms chains parallel to the b axis via N-H?O hydrogen bonds, whereas the second exhibits only an intra-molecular N-H?O hydrogen bond. The crystal structure is stabilized by further weak N-H?O and N-H?N inter-actions.

SUBMITTER: Kozubkova Z

PROVIDER: S-EPMC3011654 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

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1-Adamantylmethyl 2-amino-benzoate.

Kozubková Zuzana Z Rouchal Michal M Nečas Marek M Vícha Robert R

Acta crystallographica. Section E, Structure reports online 20101120 Pt 12

The asymmetric unit of the title compound, C(18)H(23)NO(2), consists of two crystallographically independent mol-ecules bearing an adamantane cage consisting of three fused cyclo-hexane rings in almost ideal chair conformations, with C-C-C angles in the range 108.47 (16)-110.59 (15)°. Both aryl rings are essentially planar, the maximum deviation from the best plane being 0.0125 (19) Å. One conformer forms chains parallel to the b axis via N-H⋯O hydrogen bonds, whereas the second exhibits only an ...[more]

PMID: 21589546

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