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Ethyl 1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-4-hydroxy-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate
In the title compound, C(29)H(26)N(2)O(5)S, the piperidine ring adopts a half-chair conformation. The phenyl rings are oriented at dihedral angles of 75.76 (12) and 86.64 (9)° with respect to the best plane through the piperidine ring. The dihedral angle between the two phenyl rings is 30.81 (13)°....
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/PMC3151913/ https://www.ncbi.nlm.nih.gov/pubmed/21837120 http://dx.doi.org/10.1107/S1600536811022744 |
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author | Aridoss, G. Sundaramoorthy, S. Velmurugan, D. Jeong, Y. T. |
author_facet | Aridoss, G. Sundaramoorthy, S. Velmurugan, D. Jeong, Y. T. |
author_sort | Aridoss, G. |
collection | PubMed |
description | In the title compound, C(29)H(26)N(2)O(5)S, the piperidine ring adopts a half-chair conformation. The phenyl rings are oriented at dihedral angles of 75.76 (12) and 86.64 (9)° with respect to the best plane through the piperidine ring. The dihedral angle between the two phenyl rings is 30.81 (13)°. The benzoxazole ring system is approximately planar [maximum deviation = 0.016 (4) Å]. The atoms of the ethyl side chain are disordered over two sets of sites [site occupancies = 0.376 (9) and 0.624 (9)]. The molecular conformation is stabilized by an intramolecular O—H⋯O hydrogen bond, generating an S(6) motif. The crystal packing is stabilized by intermolecular C—H⋯O interactions, generating a chain running along the a axis. |
format | Online Article Text |
id | pubmed-3151913 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-31519132011-08-11 Ethyl 1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-4-hydroxy-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate Aridoss, G. Sundaramoorthy, S. Velmurugan, D. Jeong, Y. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(29)H(26)N(2)O(5)S, the piperidine ring adopts a half-chair conformation. The phenyl rings are oriented at dihedral angles of 75.76 (12) and 86.64 (9)° with respect to the best plane through the piperidine ring. The dihedral angle between the two phenyl rings is 30.81 (13)°. The benzoxazole ring system is approximately planar [maximum deviation = 0.016 (4) Å]. The atoms of the ethyl side chain are disordered over two sets of sites [site occupancies = 0.376 (9) and 0.624 (9)]. The molecular conformation is stabilized by an intramolecular O—H⋯O hydrogen bond, generating an S(6) motif. The crystal packing is stabilized by intermolecular C—H⋯O interactions, generating a chain running along the a axis. International Union of Crystallography 2011-06-18 /pmc/articles/PMC3151913/ /pubmed/21837120 http://dx.doi.org/10.1107/S1600536811022744 Text en © Aridoss 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 Aridoss, G. Sundaramoorthy, S. Velmurugan, D. Jeong, Y. T. Ethyl 1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-4-hydroxy-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate |
title | Ethyl 1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-4-hydroxy-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate |
title_full | Ethyl 1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-4-hydroxy-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate |
title_fullStr | Ethyl 1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-4-hydroxy-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate |
title_full_unstemmed | Ethyl 1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-4-hydroxy-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate |
title_short | Ethyl 1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-4-hydroxy-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate |
title_sort | ethyl 1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-4-hydroxy-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151913/ https://www.ncbi.nlm.nih.gov/pubmed/21837120 http://dx.doi.org/10.1107/S1600536811022744 |
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