Crystal structures of 4-bromo-2-formyl-1-tosyl-1H-pyrrole, (E)-4-bromo-2-(2-nitro­vin­yl)-1-tosyl-1H-pyrrole and 6-(4-bromo-1-tosyl­pyrrol-2-yl)-4,4-dimethyl-5-nitro­hexan-2-one

The crystal structures of three inter­mediate compounds in the synthesis of 8-bromo-2,3,4,5-tetra­hydro-1,3,3-tri­methyl­dipyrrin are reported; 4-bromo-2-formyl-1-tosyl-1H-pyrrole, C(12)H(10)BrNO(3)S, (E)-4-bromo-2-(2-nitro­vin­yl)-1-tosyl-1H-pyrrole, C(13)H(11)BrN(2)O(4)S, and 6-(4-bromo-1-tosyl­py...

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Detalles Bibliográficos
Autores principales: Kingsbury, Christopher J., Sample, Harry C., Senge, Mathias O.
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/PMC8025855/
https://www.ncbi.nlm.nih.gov/pubmed/33936754
http://dx.doi.org/10.1107/S2056989021002280
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author Kingsbury, Christopher J.
Sample, Harry C.
Senge, Mathias O.
author_facet Kingsbury, Christopher J.
Sample, Harry C.
Senge, Mathias O.
author_sort Kingsbury, Christopher J.
collection PubMed
description The crystal structures of three inter­mediate compounds in the synthesis of 8-bromo-2,3,4,5-tetra­hydro-1,3,3-tri­methyl­dipyrrin are reported; 4-bromo-2-formyl-1-tosyl-1H-pyrrole, C(12)H(10)BrNO(3)S, (E)-4-bromo-2-(2-nitro­vin­yl)-1-tosyl-1H-pyrrole, C(13)H(11)BrN(2)O(4)S, and 6-(4-bromo-1-tosyl­pyrrol-2-yl)-4,4-dimethyl-5-nitro­hexan-2-one, C(19)H(23)BrN(2)O(5)S. The compounds show multitudinous inter­molecular C—H⋯O inter­actions, with bond distances and angle consistent in the series and within expectations, as well as varied packing types. The merits of collecting data beyond the standard resolution usually reported for small mol­ecules are discussed.
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spelling pubmed-80258552021-04-30 Crystal structures of 4-bromo-2-formyl-1-tosyl-1H-pyrrole, (E)-4-bromo-2-(2-nitro­vin­yl)-1-tosyl-1H-pyrrole and 6-(4-bromo-1-tosyl­pyrrol-2-yl)-4,4-dimethyl-5-nitro­hexan-2-one Kingsbury, Christopher J. Sample, Harry C. Senge, Mathias O. Acta Crystallogr E Crystallogr Commun Research Communications The crystal structures of three inter­mediate compounds in the synthesis of 8-bromo-2,3,4,5-tetra­hydro-1,3,3-tri­methyl­dipyrrin are reported; 4-bromo-2-formyl-1-tosyl-1H-pyrrole, C(12)H(10)BrNO(3)S, (E)-4-bromo-2-(2-nitro­vin­yl)-1-tosyl-1H-pyrrole, C(13)H(11)BrN(2)O(4)S, and 6-(4-bromo-1-tosyl­pyrrol-2-yl)-4,4-dimethyl-5-nitro­hexan-2-one, C(19)H(23)BrN(2)O(5)S. The compounds show multitudinous inter­molecular C—H⋯O inter­actions, with bond distances and angle consistent in the series and within expectations, as well as varied packing types. The merits of collecting data beyond the standard resolution usually reported for small mol­ecules are discussed. International Union of Crystallography 2021-03-05 /pmc/articles/PMC8025855/ /pubmed/33936754 http://dx.doi.org/10.1107/S2056989021002280 Text en © Kingsbury 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
Kingsbury, Christopher J.
Sample, Harry C.
Senge, Mathias O.
Crystal structures of 4-bromo-2-formyl-1-tosyl-1H-pyrrole, (E)-4-bromo-2-(2-nitro­vin­yl)-1-tosyl-1H-pyrrole and 6-(4-bromo-1-tosyl­pyrrol-2-yl)-4,4-dimethyl-5-nitro­hexan-2-one
title Crystal structures of 4-bromo-2-formyl-1-tosyl-1H-pyrrole, (E)-4-bromo-2-(2-nitro­vin­yl)-1-tosyl-1H-pyrrole and 6-(4-bromo-1-tosyl­pyrrol-2-yl)-4,4-dimethyl-5-nitro­hexan-2-one
title_full Crystal structures of 4-bromo-2-formyl-1-tosyl-1H-pyrrole, (E)-4-bromo-2-(2-nitro­vin­yl)-1-tosyl-1H-pyrrole and 6-(4-bromo-1-tosyl­pyrrol-2-yl)-4,4-dimethyl-5-nitro­hexan-2-one
title_fullStr Crystal structures of 4-bromo-2-formyl-1-tosyl-1H-pyrrole, (E)-4-bromo-2-(2-nitro­vin­yl)-1-tosyl-1H-pyrrole and 6-(4-bromo-1-tosyl­pyrrol-2-yl)-4,4-dimethyl-5-nitro­hexan-2-one
title_full_unstemmed Crystal structures of 4-bromo-2-formyl-1-tosyl-1H-pyrrole, (E)-4-bromo-2-(2-nitro­vin­yl)-1-tosyl-1H-pyrrole and 6-(4-bromo-1-tosyl­pyrrol-2-yl)-4,4-dimethyl-5-nitro­hexan-2-one
title_short Crystal structures of 4-bromo-2-formyl-1-tosyl-1H-pyrrole, (E)-4-bromo-2-(2-nitro­vin­yl)-1-tosyl-1H-pyrrole and 6-(4-bromo-1-tosyl­pyrrol-2-yl)-4,4-dimethyl-5-nitro­hexan-2-one
title_sort crystal structures of 4-bromo-2-formyl-1-tosyl-1h-pyrrole, (e)-4-bromo-2-(2-nitro­vin­yl)-1-tosyl-1h-pyrrole and 6-(4-bromo-1-tosyl­pyrrol-2-yl)-4,4-dimethyl-5-nitro­hexan-2-one
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8025855/
https://www.ncbi.nlm.nih.gov/pubmed/33936754
http://dx.doi.org/10.1107/S2056989021002280
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