Literature DB >> 33936754

Crystal structures of 4-bromo-2-formyl-1-tosyl-1H-pyrrole, (E)-4-bromo-2-(2-nitro-vin-yl)-1-tosyl-1H-pyrrole and 6-(4-bromo-1-tosyl-pyrrol-2-yl)-4,4-dimethyl-5-nitro-hexan-2-one.

Christopher J Kingsbury1, Harry C Sample1, Mathias O Senge1.   

Abstract

The crystal structures of three inter-mediate compounds in the synthesis of 8-bromo-2,3,4,5-tetra-hydro-1,3,3-tri-methyl-dipyrrin are reported; 4-bromo-2-formyl-1-tosyl-1H-pyrrole, n class="CellLine">C12H10BrNO3S, (E)-4-bromo-2-(2-nitro-vin-yl)-1-tosyl-1H-pyrrole, C13H11BrN2O4S, and 6-(4-bromo-1-tosyl-pyrrol-2-yl)-4,4-dimethyl-5-nitro-hexan-2-one, C19H23BrN2O5S. The compounds show multitudinous inter-molecular C-H⋯O inter-actions, 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 mol-ecules are discussed. © Kingsbury et al. 2021.

Entities:  

Keywords:  chemical inter­mediates; crystal structure; high-resolution; pyrrole

Year:  2021        PMID: 33936754      PMCID: PMC8025855          DOI: 10.1107/S2056989021002280

Source DB:  PubMed          Journal:  Acta Crystallogr E Crystallogr Commun


  11 in total

Review 1.  Synthetic Chlorins, Possible Surrogates for Chlorophylls, Prepared by Derivatization of Porphyrins.

Authors:  Masahiko Taniguchi; Jonathan S Lindsey
Journal:  Chem Rev       Date:  2016-08-08       Impact factor: 60.622

2.  Hydrogen-bonding patterns in six derivatives of 2,4-dimethylpyrrole.

Authors:  Mathias O Senge; Kevin M Smith
Journal:  Acta Crystallogr C       Date:  2005-08-10       Impact factor: 1.172

3.  Synthetic chlorins bearing auxochromes at the 3- and 13-positions.

Authors:  Joydev K Laha; Chinnasamy Muthiah; Masahiko Taniguchi; Brian E McDowell; Marcin Ptaszek; Jonathan S Lindsey
Journal:  J Org Chem       Date:  2006-05-26       Impact factor: 4.354

4.  Square Grid Metal-Chloranilate Networks as Robust Host Systems for Guest Sorption.

Authors:  Christopher J Kingsbury; Brendan F Abrahams; Josie E Auckett; Hubert Chevreau; A David Dharma; Samuel Duyker; Qilin He; Carol Hua; Timothy A Hudson; Keith S Murray; Wasinee Phonsri; Vanessa K Peterson; Richard Robson; Keith F White
Journal:  Chemistry       Date:  2019-03-13       Impact factor: 5.236

5.  ShelXle: a Qt graphical user interface for SHELXL.

Authors:  Christian B Hübschle; George M Sheldrick; Birger Dittrich
Journal:  J Appl Crystallogr       Date:  2011-11-12       Impact factor: 3.304

6.  Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination.

Authors:  Lennard Krause; Regine Herbst-Irmer; George M Sheldrick; Dietmar Stalke
Journal:  J Appl Crystallogr       Date:  2015-01-30       Impact factor: 3.304

7.  SHELXT - integrated space-group and crystal-structure determination.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A Found Adv       Date:  2015-01-01       Impact factor: 2.290

8.  Crystal structure refinement with SHELXL.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr C Struct Chem       Date:  2015-01-01       Impact factor: 1.172

9.  Use of intensity quotients and differences in absolute structure refinement.

Authors:  Simon Parsons; Howard D Flack; Trixie Wagner
Journal:  Acta Crystallogr B Struct Sci Cryst Eng Mater       Date:  2013-05-17

10.  The Cambridge Structural Database.

Authors:  Colin R Groom; Ian J Bruno; Matthew P Lightfoot; Suzanna C Ward
Journal:  Acta Crystallogr B Struct Sci Cryst Eng Mater       Date:  2016-04-01
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