Crystal structure of 6-(4-chloro-phen-yl)-6a-nitro-6a,6b,8,9,10,12a-hexa-hydro-6H,7H-spiro[chromeno[3,4-a]indolizine-12,11'-indeno-[1,2-b]quinoxaline].

ABSTRACT: The title compound, C₃₅H₂₇ClN₄O₃, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. In both mol-ecules, the pyran and pyridine rings adopt envelope and chair conformations, respectively. The conformation of the pyrrolidine and cyclo-pentene rings differ in the two mol-ecules; twisted and flat, respectively, in mol-ecule A, but envelope and twisted, respectively, in mol-ecule B. In both mol-ecules, there is a C-H?N intra-molecular hydrogen bond present. In both mol-ecules, the oxygen atoms of the nitro groups are disordered as is the chlorine atom in mol-ecule B. In the crystal, the B mol-ecules are linked by C-H?O hydrogen bonds, forming -B-B-B- chains along [010], and by C-H?? inter-actions. The A and B mol-ecules are also linked by a number of C-H?? inter-actions, resulting in the formation a supra-molecular three-dimensional structure. In mol-ecule 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).

SUBMITTER: Syed Abuthahir S 

PROVIDER: S-EPMC6362633 | biostudies-literature | 2019 Feb

REPOSITORIES: biostudies-literature