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