Interplay between Polymorphism and Isostructurality in the 2-Fur- and 2-Thenaldehyde Semi- and Thiosemicarbazones.
Molecules
; 25(4)2020 Feb 23.
Article
in En
| MEDLINE
| ID: mdl-32102204
ABSTRACT
The four compounds, namely 5-nitro-2-furaldehyde thiosemicarbazone (1); 5-nitro-2-thiophene thiosemicarbazone (2); 5-nitro-2-furaldehyde semicarbazone (3); and 5-nitro-2-thiophene semicarbazone (4) were synthesized and crystallized. The three new crystal structures of 1, 2, and 4 were determined and compared to three already known crystal structures of 3. Additionally, two new polymorphic forms of 1 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.
Key words
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Main subject:
Thiosemicarbazones
Language:
En
Journal:
Molecules
Journal subject:
BIOLOGIA
Year:
2020
Document type:
Article
Affiliation country: