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5a-Butyl-1,3,8,10-tetra­chloro-7,13-bis­(4-nitro­benzo­yl)-5a,6a,12a,12b-tetra­hydro-7H,13H-thieno[2,3-b:4,5-b′]bis­(1,4-benzoxazine)

The title compound, C(34)H(24)Cl(4)N(4)O(8)S, is a linear penta­cyclic system formed of two substituted benzoxazinyl groups fused to 2-n-butyl­tetra­hydro­thio­phene. The oxazine ring, which is fused to the n-butyl-substituted side of the thio­phene ring, is in a boat conformation. The other fused o...

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Detalles Bibliográficos
Autores principales: Tang, Kai, Kastner, Margaret E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435675/
https://www.ncbi.nlm.nih.gov/pubmed/22969546
http://dx.doi.org/10.1107/S1600536812034149
Descripción
Sumario:The title compound, C(34)H(24)Cl(4)N(4)O(8)S, is a linear penta­cyclic system formed of two substituted benzoxazinyl groups fused to 2-n-butyl­tetra­hydro­thio­phene. The oxazine ring, which is fused to the n-butyl-substituted side of the thio­phene ring, is in a boat conformation. The other fused oxazine ring and the tetra­hydro­thiene ring are each in an envelope conformation. The bridgehead C atom α to both the S and N atoms forms the flap of each envelope. This results in a twist of the penta­cyclic system such that the dihedral angle between the terminal dichloro­benzene rings is 82.92 (8)°. In the crystal, inversion-related mol­ecules form a weakly hydrogen-bonded dimer, with two C—H⋯O inter­actions between an H atom on the oxazine ring and an amide O atom. Additionally, C—H⋯O inter­actions occur between an H atom on a screw-related nitro­benzene ring and an O atom on the nitro­benzene ring of one mol­ecule. One of the Cl atoms and the butyl group are disordered over two sets of sites with occupancy ratios of 0.94 (2):0.06 (2) and 0.624 (4):0.376 (4), respectively.