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

Molecules

Andrea R. Da Silva¹  Marcelo H. Herbst¹  Aurelio B. B. Ferreira¹  Ari M. Da Silva¹ 

[1] ¹Departamento de Química, Universidade Federal Rural do Rio de Janeiro, BR 465, km 47, Seropédica, RJ, 23890-000, Brazil ²Instituto de Química, Universidade Federal do Rio de Janeiro, Avenida Athos da Silveira Ramos, 149, Bloco A, 7° andar, Cidade Universitária, Rio de Janeiro, RJ, 21941-909, Brazil

关键词: oxime;    crystal structure;    hydrogen bond  ;   

DOI  :  10.3390/molecules16021192

来源: mdpi

【 摘 要 】

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.

【 授权许可】

CC BY   
This is an open access article distributed under the Creative Commons Attribution License (CC BY) which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.