1-Adamantylmethyl 2-amino­benzoate

The asymmetric unit of the title compound, C(18)H(23)NO(2), 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)°. Both aryl ring...

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Autores principales: Kozubková, Zuzana, Rouchal, Michal, Nečas, Marek, Vícha, Robert
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011654/
https://www.ncbi.nlm.nih.gov/pubmed/21589546
http://dx.doi.org/10.1107/S1600536810047276
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author Kozubková, Zuzana
Rouchal, Michal
Nečas, Marek
Vícha, Robert
author_facet Kozubková, Zuzana
Rouchal, Michal
Nečas, Marek
Vícha, Robert
author_sort Kozubková, Zuzana
collection PubMed
description The asymmetric unit of the title compound, C(18)H(23)NO(2), 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)°. 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 intra­molecular N—H⋯O hydrogen bond. The crystal structure is stabilized by further weak N—H⋯O and N—H⋯N inter­actions.
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spelling pubmed-30116542010-12-30 1-Adamantylmethyl 2-amino­benzoate Kozubková, Zuzana Rouchal, Michal Nečas, Marek Vícha, Robert Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(18)H(23)NO(2), 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)°. 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 intra­molecular N—H⋯O hydrogen bond. The crystal structure is stabilized by further weak N—H⋯O and N—H⋯N inter­actions. International Union of Crystallography 2010-11-20 /pmc/articles/PMC3011654/ /pubmed/21589546 http://dx.doi.org/10.1107/S1600536810047276 Text en © Kozubková et al. 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Kozubková, Zuzana
Rouchal, Michal
Nečas, Marek
Vícha, Robert
1-Adamantylmethyl 2-amino­benzoate
title 1-Adamantylmethyl 2-amino­benzoate
title_full 1-Adamantylmethyl 2-amino­benzoate
title_fullStr 1-Adamantylmethyl 2-amino­benzoate
title_full_unstemmed 1-Adamantylmethyl 2-amino­benzoate
title_short 1-Adamantylmethyl 2-amino­benzoate
title_sort 1-adamantylmethyl 2-amino­benzoate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011654/
https://www.ncbi.nlm.nih.gov/pubmed/21589546
http://dx.doi.org/10.1107/S1600536810047276
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AT vicharobert 1adamantylmethyl2aminobenzoate

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