Crystal structure of ethyl 2-methyl-5,10-dioxo-4-phenyl-5,10-di­hydro-4H-11-thia-1,4a-di­aza­benzo[b]fluorene-3-carb­oxy­late

The title compound, C(24)H(18)N(2)O(4)S, crystallizes in the ortho­rhom­bic P2(1)2(1)2(1) space group, indicating the existence of only one enanti­omer with an S configuration of the chiral center in the crystal phase. The di­hydro­pyrimidine ring adopts a twist-boat conformation while the quinone r...

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Autores principales: Yartsev, Yegor, Lyubashov, Pavel, Povstyanoy, Vyacheslav, Povstyaniy, Mykhailo, Lebedyeva, Iryna
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5956320/
https://www.ncbi.nlm.nih.gov/pubmed/29850037
http://dx.doi.org/10.1107/S2056989018000117
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author Yartsev, Yegor
Lyubashov, Pavel
Povstyanoy, Vyacheslav
Povstyaniy, Mykhailo
Lebedyeva, Iryna
author_facet Yartsev, Yegor
Lyubashov, Pavel
Povstyanoy, Vyacheslav
Povstyaniy, Mykhailo
Lebedyeva, Iryna
author_sort Yartsev, Yegor
collection PubMed
description The title compound, C(24)H(18)N(2)O(4)S, crystallizes in the ortho­rhom­bic P2(1)2(1)2(1) space group, indicating the existence of only one enanti­omer with an S configuration of the chiral center in the crystal phase. The di­hydro­pyrimidine ring adopts a twist-boat conformation while the quinone ring is slightly non-planar. In the crystal, mol­ecules are linked by weak C—H⋯O and C—H⋯S hydrogen bonds and C—H⋯π inter­actions. In addition, a short inter­molecular S⋯N contact of 3.250 (3) Å indicates an inter­action between the S atom and the π-system of the thia­zole ring.
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spelling pubmed-59563202018-05-30 Crystal structure of ethyl 2-methyl-5,10-dioxo-4-phenyl-5,10-di­hydro-4H-11-thia-1,4a-di­aza­benzo[b]fluorene-3-carb­oxy­late Yartsev, Yegor Lyubashov, Pavel Povstyanoy, Vyacheslav Povstyaniy, Mykhailo Lebedyeva, Iryna Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(24)H(18)N(2)O(4)S, crystallizes in the ortho­rhom­bic P2(1)2(1)2(1) space group, indicating the existence of only one enanti­omer with an S configuration of the chiral center in the crystal phase. The di­hydro­pyrimidine ring adopts a twist-boat conformation while the quinone ring is slightly non-planar. In the crystal, mol­ecules are linked by weak C—H⋯O and C—H⋯S hydrogen bonds and C—H⋯π inter­actions. In addition, a short inter­molecular S⋯N contact of 3.250 (3) Å indicates an inter­action between the S atom and the π-system of the thia­zole ring. International Union of Crystallography 2018-01-09 /pmc/articles/PMC5956320/ /pubmed/29850037 http://dx.doi.org/10.1107/S2056989018000117 Text en © Yartsev et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ 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/2.0/uk/
spellingShingle Research Communications
Yartsev, Yegor
Lyubashov, Pavel
Povstyanoy, Vyacheslav
Povstyaniy, Mykhailo
Lebedyeva, Iryna
Crystal structure of ethyl 2-methyl-5,10-dioxo-4-phenyl-5,10-di­hydro-4H-11-thia-1,4a-di­aza­benzo[b]fluorene-3-carb­oxy­late
title Crystal structure of ethyl 2-methyl-5,10-dioxo-4-phenyl-5,10-di­hydro-4H-11-thia-1,4a-di­aza­benzo[b]fluorene-3-carb­oxy­late
title_full Crystal structure of ethyl 2-methyl-5,10-dioxo-4-phenyl-5,10-di­hydro-4H-11-thia-1,4a-di­aza­benzo[b]fluorene-3-carb­oxy­late
title_fullStr Crystal structure of ethyl 2-methyl-5,10-dioxo-4-phenyl-5,10-di­hydro-4H-11-thia-1,4a-di­aza­benzo[b]fluorene-3-carb­oxy­late
title_full_unstemmed Crystal structure of ethyl 2-methyl-5,10-dioxo-4-phenyl-5,10-di­hydro-4H-11-thia-1,4a-di­aza­benzo[b]fluorene-3-carb­oxy­late
title_short Crystal structure of ethyl 2-methyl-5,10-dioxo-4-phenyl-5,10-di­hydro-4H-11-thia-1,4a-di­aza­benzo[b]fluorene-3-carb­oxy­late
title_sort crystal structure of ethyl 2-methyl-5,10-dioxo-4-phenyl-5,10-di­hydro-4h-11-thia-1,4a-di­aza­benzo[b]fluorene-3-carb­oxy­late
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5956320/
https://www.ncbi.nlm.nih.gov/pubmed/29850037
http://dx.doi.org/10.1107/S2056989018000117
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