CRYSTAL STRUCTURE OF (E)-N '-((1H-PYRROL-2-YL)METHYLENE)-4-HYDROXYBENZOHYDRAZIDE
Keywords: hydrazide, X-ray diffracction, non-covalent interactions, Hirshfeld surface, energy framework
Abstract
The title compound corresponds to an enaminone E isomer in the solid state. X-ray structure shows that this crystallizes in the orthorrombic system, with space group Pna2(1) with 2 independent molecules in the asymmetric unit in a non-centrosymmetric setting. The CNNC unit forms dihedral angles of 5.9(3)/2.1(3); 19.7(3)/17.6(3)degrees with the pyrrole and phenol rings for molecules A and B respectively. The main differences between both molecules is the dihedral torsion between rings, their mean planes form dihedral angles of 25.45(15) and 15.38(15)degrees for the molecules A and B. In the asymmetric unit, molecules are linked by two weak N - H center dot center dot center dot O hydrogen bonds with set graph-motif R-2(2)(16).The crystal structure of title compound generates a two dimensional supramolecular network lying parallel (110) with hydrogen bonds interactions between O - H center dot center dot center dot O and N - H center dot center dot center dot O along to [100] and [001] direction with graph set motifs R-1(2)(5), R-2(2)(10), C-1(1)(8) and C-1(1)(12). pi-pi stacking interactions are not observed. Hirshfeld surface analysis were used to verify the contributions of the different intermolecular interactions. Both molecules are essentially overlaid between them with RMSD = 0.0574; max D = 0.1211 angstrom considering inversion and flexibility.
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Título según WOS: | CRYSTAL STRUCTURE OF (E)-N '-((1H-PYRROL-2-YL)METHYLENE)-4-HYDROXYBENZOHYDRAZIDE |
Título según SCOPUS: | Crystal structure of (E)-N'-((1H-pyrrol-2-yl)methylene)-4-hydroxybenzohydrazide |
Título según SCIELO: | "CRYSTAL STRUCTURE OF (E)-N′-((1H-PYRROL-2-YL)METHYLENE)-4-HYDROXYBENZOHYDRAZIDE" |
Título de la Revista: | Journal of the Chilean Chemical Society |
Volumen: | 64 |
Número: | 3 |
Editorial: | SOC CHILENA QUIMICA |
Fecha de publicación: | 2019 |
Página de inicio: | 4496 |
Página final: | 4501 |
Idioma: | English |
DOI: |
10.4067/S0717-97072019000304496 |
Notas: | ISI, SCIELO, SCOPUS |