Crystal structure of ethyl 2-methyl-5,10-dioxo-4-phenyl-5,10-di-hydro-4 H -11-thia-1,4a-di-aza-benzo[ b ]fluorene-3-carb-oxy-late.

Autor: Yartsev Y; Department of Inorganic Chemistry, V. N. Karazin Kharkiv National University, 4, Svobody sq., Kharkiv 61077, Ukraine., Lyubashov P; Department of Chemical Technology and Food Safety, Kherson National Technical, University, Berislavs'ke Highway 24, Kherson 73008, Ukraine., Povstyanoy V; Department of Chemical Technology and Food Safety, Kherson National Technical, University, Berislavs'ke Highway 24, Kherson 73008, Ukraine., Povstyaniy M; Department of Chemical Technology and Food Safety, Kherson National Technical, University, Berislavs'ke Highway 24, Kherson 73008, Ukraine., Lebedyeva I; Department of Chemistry and Physics, Augusta University, 1120 15th Street, Augusta 30912, USA.
Jazyk: angličtina
Zdroj: Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2018 Jan 09; Vol. 74 (Pt 2), pp. 124-126. Date of Electronic Publication: 2018 Jan 09 (Print Publication: 2018).
DOI: 10.1107/S2056989018000117
Abstrakt: The title compound, C 24 H 18 N 2 O 4 S, crystallizes in the ortho-rhom-bic P 2 1 2 1 2 1 space group, indicating the existence of only one enanti-omer with an S configuration of the chiral center in the crystal phase. The di-hydro-pyrimidine ring adopts a twist-boat conformation while the quinone ring is slightly non-planar. In the crystal, mol-ecules are linked by weak C-H⋯O and C-H⋯S hydrogen bonds and C-H⋯π inter-actions. In addition, a short inter-molecular S⋯N contact of 3.250 (3) Å indicates an inter-action between the S atom and the π-system of the thia-zole ring.
Databáze: MEDLINE