N′-(5-ethoxycarbonyl-3,4-dimethyl-pyrrol-2-yl-methylidene)-4-hydroxybenzohydrazide monohydrate, C17H21N3O5

Mao, Pan-Dong; Yan, Lingling; Wu, Wei-Na; Cai, Hongxin

doi:10.1515/ncrs-2017-0057

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“…The sum of the angles around the N1 and N3 atoms [358.9 (3); 359.7(3)°] reflects a planar sp2 geometry. All the distances and angles are normal 26,27 and comparable with similar compounds, refcode JOVQUI 28 and VETPAO 29 , included in CCDC data base 30 . 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.…”

Section: Resultsmentioning

confidence: 91%

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

Mahmoudi

Rostamnia

Zaragoza³

et al. 2019

J. Chil. Chem. Soc.

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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 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 1 2 (5), 2 2 (10), 1 1 (8) and 1 1 (12). - 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.

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Section: Resultsmentioning

confidence: 91%

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

Mahmoudi

Rostamnia

Zaragoza³

et al. 2019

J. Chil. Chem. Soc.

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N′-(5-ethoxycarbonyl-3,4-dimethyl-pyrrol-2-yl-methylidene)-4-hydroxybenzohydrazide monohydrate, C₁₇H₂₁N₃O₅

Cited by 1 publication

References 3 publications

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

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

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N′-(5-ethoxycarbonyl-3,4-dimethyl-pyrrol-2-yl-methylidene)-4-hydroxybenzohydrazide monohydrate, C17H21N3O5

Cited by 1 publication

References 3 publications

CRYSTAL STRUCTURE OF (E)-N&#8242;-((1H-PYRROL-2-YL)METHYLENE)-4-HYDROXYBENZOHYDRAZIDE

CRYSTAL STRUCTURE OF (E)-N&#8242;-((1H-PYRROL-2-YL)METHYLENE)-4-HYDROXYBENZOHYDRAZIDE

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N′-(5-ethoxycarbonyl-3,4-dimethyl-pyrrol-2-yl-methylidene)-4-hydroxybenzohydrazide monohydrate, C₁₇H₂₁N₃O₅

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

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