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Crystal structure and NMR spectroscopic characterization of 1,5-bis(2-hydroxy-3-methoxybenzylidene)carbonohydrazide

Authors :
Natalia Talmaci
Diana Dragancea
Elena Gorincioi
Pavlina Bourosh
Victor Kravtsov
Source :
Chemistry Journal of Moldova: General, Industrial and Ecological Chemistry, Vol 18, Iss 2, Pp 53-60 (2023)
Publication Year :
2023
Publisher :
Academy of Sciences of Moldova, Institute of Chemistry, 2023.

Abstract

The solid-state structure of a symmetrical carbohydrazone, namely 1,5-bis(2-hydroxy-3-methoxybenzylidene)carbonohydrazide was determined by X-ray single crystal diffraction method. Compound 1 crystallizes in the monoclinic space group P21/n with unit cell parameters a= 10.1198(6), b= 22.7847(11), c= 15.1738(10) Å, β= 100.458(6)°, Z= 4, V= 3440.6(3) Å3, R1= 0.0540. Crystal structure of 1 is defined by two crystallographic independent molecules, which are bonded via N–H···O hydrogen bond. The organic molecules are as keto tautomers with respect to the carbamide fragment, and adopt the anti conformation. 1D and 2D NMR experiments have argued on the presence of the title compound in DMSO-d6 solution mostly as keto tautomer in syn conformation, and enol-imino form when considering o-vanillin residue.

Details

Language :
English
ISSN :
18571727 and 23451688
Volume :
18
Issue :
2
Database :
Directory of Open Access Journals
Journal :
Chemistry Journal of Moldova: General, Industrial and Ecological Chemistry
Publication Type :
Academic Journal
Accession number :
edsdoj.796024d6f7e43e6ac6e7a2f0e525856
Document Type :
article
Full Text :
https://doi.org/10.19261/cjm.2023.1074