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⋯π inter-actions. The A and B mol-ecules are also linked by a number of C-H⋯π 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).
Highlights
The title compound, C35H27ClN4O3, crystallized with two independent molecules (A and B) in the asymmetric unit
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 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)
Summary
Nitrogen-containing heterocyclic compounds are reported to possess a diverse range of biological activities such as antimicrobial, antitumor and anti-inflammatory (Syed Abuthahir et al, 2019; Thirunavukkarsu et al, 2017) properties. Spiro compounds are often encountered in many pharmacologically active alkaloids (NizamMohideen et al, 2009c; Cravotto et al, 2001). The cornerstone for cycloaddition reactions, nitrones are excellent spin-trapping and highly versatile synthetic intermediates (Bernotas et al, 1996; NizamMohideen et al, 2009b). Substituted spiro compounds result from the 1,3-dipolar cycloaddition of exocylic olefins with nitrones; these spiro compounds have been transformed into complex heterocycles (Hossain et al, 1993; NizamMohideen et al, 2009a). Recognizing the importance of such compounds in drug discovery and our ongoing research into the construction of novel heterocycles has prompted us to investigate the title compound: we report the synthesis and the crystal structure.)
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