Acta Cryst. (2009). C65, o512-o516 [ doi:10.1107/S0108270109036361 ]
I halogen bondingAbstract: Ethyl 1-ethyl-6-iodo-4-oxo-1,4-dihydroquinoline-3-carboxylate, C14H14INO3, (I), and ethyl 1-cyclopropyl-6-iodo-4-oxo-1,4-dihydroquinoline-3-carboxylate, C15H14INO3, (II), have isomorphous crystal structures, while ethyl 1-dimethylamino-6-iodo-4-oxo-1,4-dihydroquinoline-3-carboxylate, C14H15IN2O3, (III), possesses a different solid-state supramolecular architecture. In all three structures, OI halogen-bonding interactions connect the quinolone molecules into infinite chains parallel to the unique crystallographic b axis. In (I) and (II), these molecular chains are arranged in (101) layers, via ![[pi]](/logos/entities/pi_rmgif.gif)
- stacking and C-H interactions, and these layers are then interlinked by C-HO interactions. The structural fragments involved in the C-HO interactions differ between (I) and (II), accounting for the observed difference in planarity of the quinolone moieties in the two isomorphous structures. In (III), C-HO and C-H interactions form (100) molecular layers, which are crosslinked by OI and C-HI interactions.
Formula: C14H14INO3, C15H14INO3 and C14H15IN2O3
 |   Structure factor file (CIF format) (192.6 kbytes) |
| Structure factor file (CIF format) (199.1 kbytes) |
| Structure factor file (CIF format) (204.8 kbytes) |
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