The crystal structure and conformation of N-[2,2-dimethyl-3-(2-methylpropenyl)- cyclopropylcarbonyl]-5-methylisoxazolin-3-one

Autor:	Rui-Lian Shao, You-Quan Zhu, Hong-Gen Wang, Xin-Kan Yao, Jie-You Xue
Rok vydání:	2010
Předmět:	chemistry.chemical_classification Crystal chemistry.chemical_compound Double bond Chemistry Stereochemistry Moiety Molecule General Chemistry Crystal structure Triclinic crystal system Ring (chemistry) Cyclopropane
Zdroj:	Chinese Journal of Chemistry. 9:305-309
ISSN:	1001-604X
DOI:	10.1002/cjoc.19910090403
Popis:	The title compound has been synthesized and its crystal structure was determined by X-ray crystallographic method. The crystal is triclinic, space group P-1, with unit cell dimensions a = 6.146 (5), b = 8.473(6), c = 14.383(5) A; α = 77.47 (4), β = 82.84 (4), γ = 69.00 (8)° and Z = 2. The results obtained reveal that the molecule of the title compound keeps a long conjugative system involving CC double bond, cyclopropane ring, carbonyl group and isoxazolinone ring and adopts a low energy conformation including s-trans of CC double bond, s-cis of carbonyl group with respect to the three-membered ring and like-s-trans of carbonyl group with the carbonyl group within the heterocyclic moiety.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::b187d7a65979a7cd384b21df9450dda7 https://doi.org/10.1002/cjoc.19910090403 Zobrazit plný text záznamu Plný text