Crystal structure of N-[2-(cyclohexylsulfanyl)ethyl]quinolinic acid imide
نویسندگان
چکیده
The title compound, C15H18N2O2S {systematic name: 6-[2-(cyclo-hexyl-sulfan-yl)eth-yl]-5H-pyrrolo-[3,4-b]pyridine-5,7(6H)-dione}, was obtained from the reaction of pyridine-2,3-di-carb-oxy-lic anhydride (synonym: quinolinic anhydride) with 2-(cyclo-hexyl-sulfan-yl)ethyl-amine. The dihedral angle between the mean plane of the cyclo-hexyl ring and the quinolinic acid imide ring is 25.43 (11)°. In the crystal, each mol-ecule forms two C-H⋯O hydrogen bonds and one weak C-O⋯π [O⋯ring centroid = 3.255 (2) Å] inter-action with neighbouring mol-ecules to generate a ladder structure along the b-axis direction. The ladders are linked by weak C-O⋯π [O⋯ring centroid = 3.330 (2) Å] inter-actions, resulting in sheets extending parallel to the ab plane. The mol-ecular structure is broadly consistent with theoretical calculations performed by density functional theory (DFT).
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عنوان ژورنال:
دوره 73 شماره
صفحات -
تاریخ انتشار 2017