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2,4-Bis(2-ethoxyphenyl)-7-methyl-3-azabicyclo[3.3.1]nonan-9-one
The crystal structure of the title compound, C(25)H(31)NO(3), exists in a twin-chair conformation with an equatorial orientation of the ortho-ethoxyphenyl groups. According to Cremer and Pople [Cremer & Pople (1975 ▶), J. Am. Chem. Soc. 97, 1354–1358], both the piperidone and cyclohexanone r...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120546/ https://www.ncbi.nlm.nih.gov/pubmed/21754845 http://dx.doi.org/10.1107/S1600536811018472 |
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author | Parthiban, P. Ramkumar, V. Park, Dong Ho Jeong, Yeon Tae |
author_facet | Parthiban, P. Ramkumar, V. Park, Dong Ho Jeong, Yeon Tae |
author_sort | Parthiban, P. |
collection | PubMed |
description | The crystal structure of the title compound, C(25)H(31)NO(3), exists in a twin-chair conformation with an equatorial orientation of the ortho-ethoxyphenyl groups. According to Cremer and Pople [Cremer & Pople (1975 ▶), J. Am. Chem. Soc. 97, 1354–1358], both the piperidone and cyclohexanone rings are significantly puckered with total puckering amplitutdes Q (T) of 0.5889 (18) and 0.554 (2) Å, respectively. The ortho-ethoxyphenyl groups are located on either side of the secondary amino group and make a dihedral angle of 12.41 (4)° with respect to each other. The methyl group on the cyclohexanone part occupies an exocyclic equatorial disposition. The crystal packing is stabilized by weak van der Waals interactions. |
format | Online Article Text |
id | pubmed-3120546 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-31205462011-07-13 2,4-Bis(2-ethoxyphenyl)-7-methyl-3-azabicyclo[3.3.1]nonan-9-one Parthiban, P. Ramkumar, V. Park, Dong Ho Jeong, Yeon Tae Acta Crystallogr Sect E Struct Rep Online Organic Papers The crystal structure of the title compound, C(25)H(31)NO(3), exists in a twin-chair conformation with an equatorial orientation of the ortho-ethoxyphenyl groups. According to Cremer and Pople [Cremer & Pople (1975 ▶), J. Am. Chem. Soc. 97, 1354–1358], both the piperidone and cyclohexanone rings are significantly puckered with total puckering amplitutdes Q (T) of 0.5889 (18) and 0.554 (2) Å, respectively. The ortho-ethoxyphenyl groups are located on either side of the secondary amino group and make a dihedral angle of 12.41 (4)° with respect to each other. The methyl group on the cyclohexanone part occupies an exocyclic equatorial disposition. The crystal packing is stabilized by weak van der Waals interactions. International Union of Crystallography 2011-05-20 /pmc/articles/PMC3120546/ /pubmed/21754845 http://dx.doi.org/10.1107/S1600536811018472 Text en © Parthiban et al. 2011 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 Parthiban, P. Ramkumar, V. Park, Dong Ho Jeong, Yeon Tae 2,4-Bis(2-ethoxyphenyl)-7-methyl-3-azabicyclo[3.3.1]nonan-9-one |
title | 2,4-Bis(2-ethoxyphenyl)-7-methyl-3-azabicyclo[3.3.1]nonan-9-one |
title_full | 2,4-Bis(2-ethoxyphenyl)-7-methyl-3-azabicyclo[3.3.1]nonan-9-one |
title_fullStr | 2,4-Bis(2-ethoxyphenyl)-7-methyl-3-azabicyclo[3.3.1]nonan-9-one |
title_full_unstemmed | 2,4-Bis(2-ethoxyphenyl)-7-methyl-3-azabicyclo[3.3.1]nonan-9-one |
title_short | 2,4-Bis(2-ethoxyphenyl)-7-methyl-3-azabicyclo[3.3.1]nonan-9-one |
title_sort | 2,4-bis(2-ethoxyphenyl)-7-methyl-3-azabicyclo[3.3.1]nonan-9-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120546/ https://www.ncbi.nlm.nih.gov/pubmed/21754845 http://dx.doi.org/10.1107/S1600536811018472 |
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