Synthesis and molecular structure of 7H-12-oxa-3,7-diazapleiadene-substituted 1,3-tropolones

Autor:	Vladimir I. Minkin, I. O. Bondareva, V. N. Komissarov, S. M. Aldoshin, Zyong Ngia Bang, Yu. A. Sayapin, Gennady V. Shilov, Valery V. Tkachev, I. V. Dorogan
Rok vydání:	2011
Předmět:	Crystallography Chemistry Computational chemistry Phase (matter) X-ray crystallography Polar Molecule General Chemistry O quinones
Zdroj:	Russian Chemical Bulletin. 60:1372-1379
ISSN:	1573-9171 1066-5285
Popis:	An acid-catalyzed reaction of substituted 2-methyl-7H-12-oxa-3,7-diazapleiadenes with 1,2-benzoquinones leads to 7H-12-oxa-3,7-diazapleiadene-substituted 1,3-tropolones. Molecular structure of 5,7-di(tert-butyl)-2-[9,11-di(tert-butyl)-4-methyl-7H-12-oxa-3,7-diazapleiaden-2-yl]-4-nitro-1,3-tropolone was established by X-ray crystallography. Energy and structural characteristics of isomeric 5,7-di(tert-butyl)-2-[9,11-di(tert-butyl)-4-methyl-7H-12-oxa-3,7-diazapleiaden-2-yl]-4-nitro-1,3-tropolones in the gaseous phase and a polar solution were studied by the PBE0/6-31G** method.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::77198c8539def1c2378c936fa128be08 https://doi.org/10.1007/s11172-011-0205-9 Zobrazit plný text záznamu Full text from SpringerLink