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Crystal structure of 6-(4-chloro­phen­yl)-6a-nitro-6a,6b,8,9,10,12a-hexa­hydro-6H,7H-spiro[chromeno[3,4-a]indolizine-12,11′-indeno­[1,2-b]quinoxaline]

The title compound, C(35)H(27)ClN(4)O(3), crystallized with two independent mol­ecules (A and B) in the asymmetric unit. In both mol­ecules, the pyran and pyridine rings adopt envelope and chair conformations, respectively. The conformation of the pyrrolidine and cyclo­pentene rings differ in the tw...

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Detalles Bibliográficos
Autores principales: Syed Abuthahir, S., NizamMohideen, M., Viswanathan, V., Velmurugan, D., Nagasivarao, J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6362633/
https://www.ncbi.nlm.nih.gov/pubmed/30800462
http://dx.doi.org/10.1107/S2056989019000975
Descripción
Sumario:The title compound, C(35)H(27)ClN(4)O(3), crystallized with two independent mol­ecules (A and B) in the asymmetric unit. In both mol­ecules, the pyran and pyridine rings adopt envelope and chair conformations, respectively. The conformation of the pyrrolidine and cyclo­pentene rings differ in the two mol­ecules; twisted and flat, respectively, in mol­ecule A, but envelope and twisted, respectively, in mol­ecule B. In both mol­ecules, there is a C—H⋯N intra­molecular hydrogen bond present. In both mol­ecules, the oxygen atoms of the nitro groups are disordered as is the chlorine atom in mol­ecule B. In the crystal, the B mol­ecules are linked by C—H⋯O hydrogen bonds, forming –B–B–B– chains along [010], and by C—H⋯π inter­actions. The A and B mol­ecules are also linked by a number of C—H⋯π inter­actions, resulting in the formation a supra­molecular three-dimensional structure. In mol­ecule A, the nitro group oxygen atoms are disordered over two positions with refined occupancy ratios of the nitro group oxygen atoms O3A and O4A in 0.59 (2):0.41 (2) while in molecule B one of the nitro O atoms is disordered over two positions with a refined occupancy ratio of 0.686 (13):0.314 (13) and the chlorine atoms is disordered over two positions with a refined occupancy ratio of 0.72 (3):0.28 (3).