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Synthesis and crystal structure of -10-(4-cyano-phen-yl)-10,11,22,23-tetra-hydro-9,21-5,8:15,12-bis-(metheno)[1,5,11]tri-aza-cyclo-hexadecino[1,16-:5,6-']di-indole di-chloro-methane monosolvate. | LitMetric

The asymmetric unit of the title compound is composed of one host mol-ecule, -4-(1 ,5 -3-aza-1,5(3,9)-dicarbazola-cyclo-octa-phane-3-yl)benzo-nitrile and one di-chloro-methane solvate mol-ecule, CHN·CHCl. The host mol-ecule possesses a planar chirality but crystallizes as a racemate in the space group 2/. It adopts an -configuration, in which two carbazole rings are partially overlapped with a parallel orientation. The two carbazole ring systems are slightly bent, and the C atoms at the 3- and 1-positions show the largest deviations from the mean planes. The dihedral angle between two carbazole rings is 9.42 (3)°, forming an intra-molecular parallel π-π inter-action [⋯ = 3.2755 (9) Å]. In the crystal, the mol-ecules are linked host-host and host-guest C-H⋯π inter-actions, forming chain structures along the -axis direction. The mol-ecules are linked into a ribbon structure along the axis direction by further C-H⋯π inter-actions. As a result, The mol-ecules are cross-linked by C-H⋯π inter-actions into a three-dimensional network.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701771PMC
http://dx.doi.org/10.1107/S2056989024011782DOI Listing

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