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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)°....

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Autores principales: Aridoss, G., Sundaramoorthy, S., Velmurugan, D., Jeong, Y. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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.
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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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