Crystal Structure and Hydrogen Bonding Study of (10E)-2,2-Dimethyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione 10-Oxime Derived From a-Lapachone

The compound (10E)-2,2-dimethyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione-10-oxime (1) was synthesized from a-lapachone and hydroxylamine chloride in alkaline medium. Single-crystals suitable for X-ray diffraction measurements were grown from an ethanol solution, and the crystal structure of the ti...

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Bibliographic Details
Published in:Molecules (Basel, Switzerland) Switzerland), 2011-02, Vol.16 (2), p.1192-1200
Main Authors: Da Silva, Andrea R., Herbst, Marcelo H., Ferreira, Aurelio B. B., Da Silva, Ari M., Visentin, Lorenzo C.
Format: Article
Language:English
Subjects:
Carbon
Crystal structure
hydrogen bond
Hydrogen bonds
NMR
Nuclear magnetic resonance
Organic chemicals
oxime
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Summary:The compound (10E)-2,2-dimethyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione-10-oxime (1) was synthesized from a-lapachone and hydroxylamine chloride in alkaline medium. Single-crystals suitable for X-ray diffraction measurements were grown from an ethanol solution, and the crystal structure of the title molecule is reported for the first time. The title molecule was also characterized by 1H- and 13C-NMR in CDCl3 solution, FTIR and MS. The crystal structure of 1 shows an E stereochemistry and dimers formed through classical hydrogen bonds.
ISSN:1420-3049
1420-3049
DOI:10.3390/molecules16021192