Gelbrich Thomas, Haddow Mairi F, Griesser Ulrich J
Institute of Pharmacy, University of Innsbruck, Innrain 52, 6020 Innsbruck, Austria.
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1343. doi: 10.1107/S1600536811016680. Epub 2011 May 7.
The title compound {systematic name: N-cyclo-hexyl-carba-moyl-4-[2-(7-meth-oxy-4,4-dimethyl-1,3-dioxo-1,2,3,4-tetra-hydro-isoquinolin-2-yl)eth-yl]benzene-sulfonamide}, C(27)H(33)N(3)O(6)S, displays an intra-molecular N-H⋯O=S inter-action, as well as inter-molecular N-H⋯O=C hydrogen bonds. The latter inter-actions lead to the formation of hydrogen-bonded chains parallel to the c axis. The conformation of the sulfonyl-urea fragment is in agreement with a recent theoretical study [Kasetti et al. (2010 ▶). J. Phys. Chem. B, 114, 11603-11610].
标题化合物{系统名称:N-环己基-氨基甲酰基-4-[2-(7-甲氧基-4,4-二甲基-1,3-二氧代-1,2,3,4-四氢异喹啉-2-基)乙基]苯磺酰胺},C₂₇H₃₃N₃O₆S,表现出分子内N-H⋯O=S相互作用以及分子间N-H⋯O=C氢键。后者的相互作用导致形成平行于c轴的氢键链。磺酰脲片段的构象与最近的一项理论研究[卡塞蒂等人(2010年▶)。《物理化学杂志B》,114,11603 - 11610]一致。