Crystal structure of methyl (3RS,4SR,4aRS,11aRS,11bSR)-5-oxo-3,4,4a,5,7,8,9,10,11,11a-decahydro-3,11b-epoxyazepino[2,1-a]isoindole-4-carboxylate

The title compound, C15H19NO4, is the a product of the esterification of the corresponding carbonic acid with methanol. The molecule comprises a fused tetracyclic system containing three five-membered rings (2-pyrrolidinone, tetrahydrofuran and dihydrofuran) and one seven-membered ring (azepane). The five-membered rings have the usual envelope conformations, with the quaternary C atom being the flap atom for the 2-pyrrolidinone ring, and the ether O atom being the common flap atom for the remaining rings. The seven-membered azepane ring adopts a chair conformation with the methine and middle methylene C atoms lying above and below the mean plane defined by the remaining five atoms. The carboxylate substituent is rotated by 77.56(5)° with respect to the base plane of the tetrahydrofuran ring. In the crystal, the molecules are bound by weak C - H⋯O hydrogen-bonding interactions into puckered layers parallel to (001). © 2015.

Авторы
Редакторы
-
Издательство
International Union of Crystallography
Номер выпуска
-
Язык
Английский
Страницы
o729-o730
Статус
Опубликовано
Подразделение
-
Номер
-
Том
71
Год
2015
Организации
  • 1 Department of Chemistry, University of Douala, Faculty of Sciences, PO Box 24157, Douala, Cameroon
  • 2 Department of Organic Chemistry, Peoples' Friendship University of Russia, 6 Miklukho-Maklay St, Moscow, 117198, Russian Federation
  • 3 Department of Chemistry and Biology, New Mexico Highlands University, 803 University Ave, Las Vegas, NM 87701, United States
  • 4 Department of Inorganic Chemistry, Peoples' Friendship University of Russia, 6 Miklukho-Maklay St, Moscow, 117198, Russian Federation
Ключевые слова
3,6a-epoxyisoindoles; azepane; C - H⋯O hydrogen bonds; crystal structure; intramolecular cycloaddition
Дата создания
19.10.2018
Дата изменения
19.10.2018
Постоянная ссылка
https://repository.rudn.ru/ru/records/article/record/4731/