Crystallographic and spectroscopic characterization of 2-[(7-acetyl-4-cyano-6-hy­droxy-1,6-dimethyl-8-phenyl-5,6,7,8-tetra­hydro­isoquinolin-3-yl)sulfan­yl]-N-phenyl­acetamide

In the title mol­ecule, C(28)H(27)N(3)O(3)S, the heterocyclic portion of the tetra­hydro­iso­quinoline unit is planar and an intra­molecular N—H⋯N hydrogen bond and a C—H⋯π(ring) inter­action help to determine the overall conformation. In the crystal, a layer structure with the layers parallel to (1...

Descripción completa

Detalles Bibliográficos
Autores principales: Al-Taifi, Elham A., Maraei, Islam S., Bakhite, Etify A., Demirtas, Güneş, Mague, Joel. T., Mohamed, Shaaban K., Ramli, Youssef
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7869536/
https://www.ncbi.nlm.nih.gov/pubmed/33614138
http://dx.doi.org/10.1107/S2056989021000372
_version_ 1783648648235581440
author Al-Taifi, Elham A.
Maraei, Islam S.
Bakhite, Etify A.
Demirtas, Güneş
Mague, Joel. T.
Mohamed, Shaaban K.
Ramli, Youssef
author_facet Al-Taifi, Elham A.
Maraei, Islam S.
Bakhite, Etify A.
Demirtas, Güneş
Mague, Joel. T.
Mohamed, Shaaban K.
Ramli, Youssef
author_sort Al-Taifi, Elham A.
collection PubMed
description In the title mol­ecule, C(28)H(27)N(3)O(3)S, the heterocyclic portion of the tetra­hydro­iso­quinoline unit is planar and an intra­molecular N—H⋯N hydrogen bond and a C—H⋯π(ring) inter­action help to determine the overall conformation. In the crystal, a layer structure with the layers parallel to (10[Image: see text]) is generated by O—H⋯O and C—H⋯O hydrogen bonds.
format Online
Article
Text
id pubmed-7869536
institution National Center for Biotechnology Information
language English
publishDate 2021
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-78695362021-02-19 Crystallographic and spectroscopic characterization of 2-[(7-acetyl-4-cyano-6-hy­droxy-1,6-dimethyl-8-phenyl-5,6,7,8-tetra­hydro­isoquinolin-3-yl)sulfan­yl]-N-phenyl­acetamide Al-Taifi, Elham A. Maraei, Islam S. Bakhite, Etify A. Demirtas, Güneş Mague, Joel. T. Mohamed, Shaaban K. Ramli, Youssef Acta Crystallogr E Crystallogr Commun Research Communications In the title mol­ecule, C(28)H(27)N(3)O(3)S, the heterocyclic portion of the tetra­hydro­iso­quinoline unit is planar and an intra­molecular N—H⋯N hydrogen bond and a C—H⋯π(ring) inter­action help to determine the overall conformation. In the crystal, a layer structure with the layers parallel to (10[Image: see text]) is generated by O—H⋯O and C—H⋯O hydrogen bonds. International Union of Crystallography 2021-01-15 /pmc/articles/PMC7869536/ /pubmed/33614138 http://dx.doi.org/10.1107/S2056989021000372 Text en © Al-Taifi et al. 2021 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Al-Taifi, Elham A.
Maraei, Islam S.
Bakhite, Etify A.
Demirtas, Güneş
Mague, Joel. T.
Mohamed, Shaaban K.
Ramli, Youssef
Crystallographic and spectroscopic characterization of 2-[(7-acetyl-4-cyano-6-hy­droxy-1,6-dimethyl-8-phenyl-5,6,7,8-tetra­hydro­isoquinolin-3-yl)sulfan­yl]-N-phenyl­acetamide
title Crystallographic and spectroscopic characterization of 2-[(7-acetyl-4-cyano-6-hy­droxy-1,6-dimethyl-8-phenyl-5,6,7,8-tetra­hydro­isoquinolin-3-yl)sulfan­yl]-N-phenyl­acetamide
title_full Crystallographic and spectroscopic characterization of 2-[(7-acetyl-4-cyano-6-hy­droxy-1,6-dimethyl-8-phenyl-5,6,7,8-tetra­hydro­isoquinolin-3-yl)sulfan­yl]-N-phenyl­acetamide
title_fullStr Crystallographic and spectroscopic characterization of 2-[(7-acetyl-4-cyano-6-hy­droxy-1,6-dimethyl-8-phenyl-5,6,7,8-tetra­hydro­isoquinolin-3-yl)sulfan­yl]-N-phenyl­acetamide
title_full_unstemmed Crystallographic and spectroscopic characterization of 2-[(7-acetyl-4-cyano-6-hy­droxy-1,6-dimethyl-8-phenyl-5,6,7,8-tetra­hydro­isoquinolin-3-yl)sulfan­yl]-N-phenyl­acetamide
title_short Crystallographic and spectroscopic characterization of 2-[(7-acetyl-4-cyano-6-hy­droxy-1,6-dimethyl-8-phenyl-5,6,7,8-tetra­hydro­isoquinolin-3-yl)sulfan­yl]-N-phenyl­acetamide
title_sort crystallographic and spectroscopic characterization of 2-[(7-acetyl-4-cyano-6-hy­droxy-1,6-dimethyl-8-phenyl-5,6,7,8-tetra­hydro­isoquinolin-3-yl)sulfan­yl]-n-phenyl­acetamide
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7869536/
https://www.ncbi.nlm.nih.gov/pubmed/33614138
http://dx.doi.org/10.1107/S2056989021000372
work_keys_str_mv AT altaifielhama crystallographicandspectroscopiccharacterizationof27acetyl4cyano6hydroxy16dimethyl8phenyl5678tetrahydroisoquinolin3ylsulfanylnphenylacetamide
AT maraeiislams crystallographicandspectroscopiccharacterizationof27acetyl4cyano6hydroxy16dimethyl8phenyl5678tetrahydroisoquinolin3ylsulfanylnphenylacetamide
AT bakhiteetifya crystallographicandspectroscopiccharacterizationof27acetyl4cyano6hydroxy16dimethyl8phenyl5678tetrahydroisoquinolin3ylsulfanylnphenylacetamide
AT demirtasgunes crystallographicandspectroscopiccharacterizationof27acetyl4cyano6hydroxy16dimethyl8phenyl5678tetrahydroisoquinolin3ylsulfanylnphenylacetamide
AT maguejoelt crystallographicandspectroscopiccharacterizationof27acetyl4cyano6hydroxy16dimethyl8phenyl5678tetrahydroisoquinolin3ylsulfanylnphenylacetamide
AT mohamedshaabank crystallographicandspectroscopiccharacterizationof27acetyl4cyano6hydroxy16dimethyl8phenyl5678tetrahydroisoquinolin3ylsulfanylnphenylacetamide
AT ramliyoussef crystallographicandspectroscopiccharacterizationof27acetyl4cyano6hydroxy16dimethyl8phenyl5678tetrahydroisoquinolin3ylsulfanylnphenylacetamide

Ejemplares similares