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...
Main Authors: | , , |
---|---|
Format: | Article |
Language: | English |
Published: |
International Union of Crystallography
2021-04-01
|
Series: | Acta Crystallographica Section E: Crystallographic Communications |
Subjects: | |
Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989021002280 |
id |
doaj-37bdee5425a44a03ad4f4a5a10fd600c |
---|---|
record_format |
Article |
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 |
work_keys_str_mv |
AT christopherjkingsbury crystalstructuresof4bromo2formyl1tosyl1hpyrrolee4bromo22nitrovinyl1tosyl1hpyrroleand64bromo1tosylpyrrol2yl44dimethyl5nitrohexan2one AT harrycsample crystalstructuresof4bromo2formyl1tosyl1hpyrrolee4bromo22nitrovinyl1tosyl1hpyrroleand64bromo1tosylpyrrol2yl44dimethyl5nitrohexan2one AT mathiasosenge crystalstructuresof4bromo2formyl1tosyl1hpyrrolee4bromo22nitrovinyl1tosyl1hpyrroleand64bromo1tosylpyrrol2yl44dimethyl5nitrohexan2one |
_version_ |
1721535938645983232 |