Interplay between Polymorphism and Isostructurality in the 2-Fur- and 2-Thenaldehyde Semi- and Thiosemicarbazones

The four compounds, namely: 5-nitro-2-furaldehyde thiosemicarbazone ( ); 5-nitro-2-thiophene thiosemicarbazone ( ); 5-nitro-2-furaldehyde semicarbazone ( ); and 5-nitro-2-thiophene semicarbazone ( ) were synthesized and crystallized. The three new crystal structures of , , and were determined and co...

Full description

Saved in:
Bibliographic Details
Published in:Molecules (Basel, Switzerland) Switzerland), 2020-02, Vol.25 (4), p.993
Main Authors: Swiatkowski, Marcin, Trzesowska-Kruszynska, Agata, Danielewicz, Agnieszka, Sobczak, Paulina, Kruszynski, Rafal
Format: Article
Language:English
Subjects:
Crystal structure
Crystallization
Electron density
Hydrogen bonds
isostructurality
Molecular structure
Oscillators
Polymorphism
Self-assembly
semicarbazone
thiosemicarbazone
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:The four compounds, namely: 5-nitro-2-furaldehyde thiosemicarbazone ( ); 5-nitro-2-thiophene thiosemicarbazone ( ); 5-nitro-2-furaldehyde semicarbazone ( ); and 5-nitro-2-thiophene semicarbazone ( ) were synthesized and crystallized. The three new crystal structures of , , and were determined and compared to three already known crystal structures of . Additionally, two new polymorphic forms of solvate were synthesized and studied. The influence of the exchange of 2-thiophene to 2-furaldehyde as well as thiosemicarbazone and semicarbazone on the self-assembly of supramolecular nets was elucidated and discussed in terms of the formed synthons and assemblies accompanied by Full Interaction Maps analysis. Changes in the strength of IR oscillators caused by the molecular and crystal packing effects are described and explained in terms of changes of electron density.
ISSN:1420-3049
1420-3049
DOI:10.3390/molecules25040993