CRYSTAL STRUCTURE OF (E)-N′-((1H-PYRROL-2-YL)METHYLENE)-4-HYDROXYBENZOHYDRAZIDE

CRYSTAL STRUCTURE OF (E)-N′-((1H-PYRROL-2-YL)METHYLENE)-4-HYDROXYBENZOHYDRAZIDE

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 Pna21 with 2 independent molecules in the asymmetric unit in a non-centrosymmetric setting. The CNNC unit forms dihedral angl...

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Autores principales: Mahmoudi,Ghodrat, Rostamnia,Sadegh, Zaragoza,Guillermo, Brito,Iván, Cisterna,Jonathan, Cárdenas,Alejandro
Lenguaje:English
Publicado: Sociedad Chilena de Química 2019
Materias:
Hydrazide
X-ray diffracction
non-covalent interactions
Hirshfeld surface
energy framework
Acceso en línea:http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072019000304496
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spelling oai:scielo:S0717-970720190003044962019-11-06CRYSTAL STRUCTURE OF (E)-N′-((1H-PYRROL-2-YL)METHYLENE)-4-HYDROXYBENZOHYDRAZIDEMahmoudi,GhodratRostamnia,SadeghZaragoza,GuillermoBrito,IvánCisterna,JonathanCárdenas,Alejandro 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 Pna21 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)° 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)° for the molecules A and B. In the asymmetric unit, molecules are linked by two weak N – H⋯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⋯O and N – H⋯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). π 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 Å considering inversion and flexibility.info:eu-repo/semantics/openAccessSociedad Chilena de QuímicaJournal of the Chilean Chemical Society v.64 n.3 20192019-09-01text/htmlhttp://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072019000304496en10.4067/S0717-97072019000304496
institution Scielo Chile
collection Scielo Chile
language English
topic Hydrazide
X-ray diffracction
non-covalent interactions
Hirshfeld surface
energy framework
spellingShingle Hydrazide
X-ray diffracction
non-covalent interactions
Hirshfeld surface
energy framework
Mahmoudi,Ghodrat
Rostamnia,Sadegh
Zaragoza,Guillermo
Brito,Iván
Cisterna,Jonathan
Cárdenas,Alejandro
CRYSTAL STRUCTURE OF (E)-N′-((1H-PYRROL-2-YL)METHYLENE)-4-HYDROXYBENZOHYDRAZIDE
description 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 Pna21 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)° 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)° for the molecules A and B. In the asymmetric unit, molecules are linked by two weak N – H⋯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⋯O and N – H⋯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). π 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 Å considering inversion and flexibility.
author Mahmoudi,Ghodrat
Rostamnia,Sadegh
Zaragoza,Guillermo
Brito,Iván
Cisterna,Jonathan
Cárdenas,Alejandro
author_facet Mahmoudi,Ghodrat
Rostamnia,Sadegh
Zaragoza,Guillermo
Brito,Iván
Cisterna,Jonathan
Cárdenas,Alejandro
author_sort Mahmoudi,Ghodrat
title CRYSTAL STRUCTURE OF (E)-N′-((1H-PYRROL-2-YL)METHYLENE)-4-HYDROXYBENZOHYDRAZIDE
title_short CRYSTAL STRUCTURE OF (E)-N′-((1H-PYRROL-2-YL)METHYLENE)-4-HYDROXYBENZOHYDRAZIDE
title_full CRYSTAL STRUCTURE OF (E)-N′-((1H-PYRROL-2-YL)METHYLENE)-4-HYDROXYBENZOHYDRAZIDE
title_fullStr CRYSTAL STRUCTURE OF (E)-N′-((1H-PYRROL-2-YL)METHYLENE)-4-HYDROXYBENZOHYDRAZIDE
title_full_unstemmed CRYSTAL STRUCTURE OF (E)-N′-((1H-PYRROL-2-YL)METHYLENE)-4-HYDROXYBENZOHYDRAZIDE
title_sort crystal structure of (e)-n′-((1h-pyrrol-2-yl)methylene)-4-hydroxybenzohydrazide
publisher Sociedad Chilena de Química
publishDate 2019
url http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072019000304496
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AT zaragozaguillermo crystalstructureofen82421hpyrrol2ylmethylene4hydroxybenzohydrazide
AT britoivan crystalstructureofen82421hpyrrol2ylmethylene4hydroxybenzohydrazide
AT cisternajonathan crystalstructureofen82421hpyrrol2ylmethylene4hydroxybenzohydrazide
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