Abstract
Crystals of the title compound are orthorhombic, Space group P212121, with the unit cell dimensions, a =6.839 (1), b=9.919 (3), c =21.311 (1) Å, V= 1445.6 (6) Å3, and Z=4. The structure was solved with CAD-4 data using MULTAN programs and refined to a final R value of 0.048. The acridine molecule takes up a “bent-propellar” conformation with the propylcyano and the cyano groups on opposite sides of the acridine molecule. No intra- or intermolecular hydrogen bonding is present in the crystal packing, except for some C–H⋅⋅⋅N type of interactions. The crystal structure is stabilized by the stacking of the acridine molecules running parallel to the crystallographic a-axis. The separation of approximately 3.5 Å between the aromatic units and the alternating arrangement of the molecules within these stacks indicates that attractive electrostatic π–π interactions play a significant role in the crystal packing.
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Fridey, S.M., Srikrishnan, T. Crystal structure and conformation of 9-cyano-9-propyl cyano-10-methyl acridine. Journal of Chemical Crystallography 34, 219–222 (2004). https://doi.org/10.1023/B:JOCC.0000021569.04459.c6
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DOI: https://doi.org/10.1023/B:JOCC.0000021569.04459.c6