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Crystal structure of N-[2-(cyclo-hexyl-sulfan-yl)eth-yl]quinolinic acid imide
Hyunjin Park1, Myong Yong Choi1, Cheol Joo Moon1
1Department of Chemistry (BK21 plus) and Research Institute of Natural Sciences, Gyeongsang National University, Jinju 52828, Republic of Korea.
Abstract:
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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