Crystal structure of (±)-3-[(benzo[d][1,3]dioxol-5-yl)meth­yl]-2-(3,4,5-tri­meth­oxy­phen­yl)-1,3-thia­zolidin-4-one

In the title thia­zolidine-4-one derivative, C(20)H(21)NO(6)S, the central thia­zolidine ring is essentially planar (r.m.s. deviation for all non-H atoms = 0.0287 Å) and forms a dihedral angle of 88.25 (5)° with the meth­oxy-substituted benzene ring and 74.21 (4)° with the 1,3-benzodioxole ring. The...

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Autores principales: Moreno-Fuquen, Rodolfo, Castillo, Juan C., Abonia, Rodrigo, Ellena, Javier, De Simone, Carlos A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257375/
https://www.ncbi.nlm.nih.gov/pubmed/25553018
http://dx.doi.org/10.1107/S160053681402340X
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author Moreno-Fuquen, Rodolfo
Castillo, Juan C.
Abonia, Rodrigo
Ellena, Javier
De Simone, Carlos A.
author_facet Moreno-Fuquen, Rodolfo
Castillo, Juan C.
Abonia, Rodrigo
Ellena, Javier
De Simone, Carlos A.
author_sort Moreno-Fuquen, Rodolfo
collection PubMed
description In the title thia­zolidine-4-one derivative, C(20)H(21)NO(6)S, the central thia­zolidine ring is essentially planar (r.m.s. deviation for all non-H atoms = 0.0287 Å) and forms a dihedral angle of 88.25 (5)° with the meth­oxy-substituted benzene ring and 74.21 (4)° with the 1,3-benzodioxole ring. The heterocyclic ring (with two O atoms) fused to benzene ring adopts an envelope conformation with the non-ring-junction C atom as the flap. In the crystal, the mol­ecules are linked into chains along [001] through weak C—H⋯O inter­actions, forming R (4) (4)(28) edge-fused rings.
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spelling pubmed-42573752014-12-31 Crystal structure of (±)-3-[(benzo[d][1,3]dioxol-5-yl)meth­yl]-2-(3,4,5-tri­meth­oxy­phen­yl)-1,3-thia­zolidin-4-one Moreno-Fuquen, Rodolfo Castillo, Juan C. Abonia, Rodrigo Ellena, Javier De Simone, Carlos A. Acta Crystallogr Sect E Struct Rep Online Data Reports In the title thia­zolidine-4-one derivative, C(20)H(21)NO(6)S, the central thia­zolidine ring is essentially planar (r.m.s. deviation for all non-H atoms = 0.0287 Å) and forms a dihedral angle of 88.25 (5)° with the meth­oxy-substituted benzene ring and 74.21 (4)° with the 1,3-benzodioxole ring. The heterocyclic ring (with two O atoms) fused to benzene ring adopts an envelope conformation with the non-ring-junction C atom as the flap. In the crystal, the mol­ecules are linked into chains along [001] through weak C—H⋯O inter­actions, forming R (4) (4)(28) edge-fused rings. International Union of Crystallography 2014-11-05 /pmc/articles/PMC4257375/ /pubmed/25553018 http://dx.doi.org/10.1107/S160053681402340X Text en © Moreno-Fuquen et al. 2014 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 Data Reports
Moreno-Fuquen, Rodolfo
Castillo, Juan C.
Abonia, Rodrigo
Ellena, Javier
De Simone, Carlos A.
Crystal structure of (±)-3-[(benzo[d][1,3]dioxol-5-yl)meth­yl]-2-(3,4,5-tri­meth­oxy­phen­yl)-1,3-thia­zolidin-4-one
title Crystal structure of (±)-3-[(benzo[d][1,3]dioxol-5-yl)meth­yl]-2-(3,4,5-tri­meth­oxy­phen­yl)-1,3-thia­zolidin-4-one
title_full Crystal structure of (±)-3-[(benzo[d][1,3]dioxol-5-yl)meth­yl]-2-(3,4,5-tri­meth­oxy­phen­yl)-1,3-thia­zolidin-4-one
title_fullStr Crystal structure of (±)-3-[(benzo[d][1,3]dioxol-5-yl)meth­yl]-2-(3,4,5-tri­meth­oxy­phen­yl)-1,3-thia­zolidin-4-one
title_full_unstemmed Crystal structure of (±)-3-[(benzo[d][1,3]dioxol-5-yl)meth­yl]-2-(3,4,5-tri­meth­oxy­phen­yl)-1,3-thia­zolidin-4-one
title_short Crystal structure of (±)-3-[(benzo[d][1,3]dioxol-5-yl)meth­yl]-2-(3,4,5-tri­meth­oxy­phen­yl)-1,3-thia­zolidin-4-one
title_sort crystal structure of (±)-3-[(benzo[d][1,3]dioxol-5-yl)meth­yl]-2-(3,4,5-tri­meth­oxy­phen­yl)-1,3-thia­zolidin-4-one
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257375/
https://www.ncbi.nlm.nih.gov/pubmed/25553018
http://dx.doi.org/10.1107/S160053681402340X
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