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

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, C12H10BrNO3S, (E)-4-bromo-2-(2-nitrovinyl)-1-tosyl-1H-pyrrole, C13H11BrN2O4S, and 6-(4-bromo-1-tosylpyrrol-2-yl)-4,4-dimeth...

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Main Authors: Christopher J. Kingsbury, Harry C. Sample, Mathias O. Senge
Format: Article
Language:English
Published: International Union of Crystallography 2021-04-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
pyrrole
chemical intermediates
high-resolution
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989021002280
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spelling doaj-37bdee5425a44a03ad4f4a5a10fd600c2021-04-07T14:28:55ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902021-04-0177434134510.1107/S2056989021002280tx2036Crystal 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-oneChristopher J. Kingsbury0Harry C. Sample1Mathias O. Senge2Chair of Organic Chemistry, School of Chemistry, Trinity Biomedical Science Institute, 152-160 Pearse Street, Trinity College Dublin, The University of Dublin, Dublin 2, IrelandChair of Organic Chemistry, School of Chemistry, Trinity Biomedical Science Institute, 152-160 Pearse Street, Trinity College Dublin, The University of Dublin, Dublin 2, IrelandChair of Organic Chemistry, School of Chemistry, Trinity Biomedical Science Institute, 152-160 Pearse Street, Trinity College Dublin, The University of Dublin, Dublin 2, IrelandThe 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, C12H10BrNO3S, (E)-4-bromo-2-(2-nitrovinyl)-1-tosyl-1H-pyrrole, C13H11BrN2O4S, and 6-(4-bromo-1-tosylpyrrol-2-yl)-4,4-dimethyl-5-nitrohexan-2-one, C19H23BrN2O5S. 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.http://scripts.iucr.org/cgi-bin/paper?S2056989021002280crystal structurepyrrolechemical intermediateshigh-resolution
collection DOAJ
language English
format Article
sources DOAJ
author Christopher J. Kingsbury
Harry C. Sample
Mathias O. Senge
spellingShingle Christopher J. Kingsbury
Harry C. Sample
Mathias O. Senge
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
Acta Crystallographica Section E: Crystallographic Communications
crystal structure
pyrrole
chemical intermediates
high-resolution
author_facet Christopher J. Kingsbury
Harry C. Sample
Mathias O. Senge
author_sort Christopher J. Kingsbury
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_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_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_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
publisher International Union of Crystallography
series Acta Crystallographica Section E: Crystallographic Communications
issn 2056-9890
publishDate 2021-04-01
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, C12H10BrNO3S, (E)-4-bromo-2-(2-nitrovinyl)-1-tosyl-1H-pyrrole, C13H11BrN2O4S, and 6-(4-bromo-1-tosylpyrrol-2-yl)-4,4-dimethyl-5-nitrohexan-2-one, C19H23BrN2O5S. 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.
topic crystal structure
pyrrole
chemical intermediates
high-resolution
url http://scripts.iucr.org/cgi-bin/paper?S2056989021002280
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AT harrycsample crystalstructuresof4bromo2formyl1tosyl1hpyrrolee4bromo22nitrovinyl1tosyl1hpyrroleand64bromo1tosylpyrrol2yl44dimethyl5nitrohexan2one
AT mathiasosenge crystalstructuresof4bromo2formyl1tosyl1hpyrrolee4bromo22nitrovinyl1tosyl1hpyrroleand64bromo1tosylpyrrol2yl44dimethyl5nitrohexan2one
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