（2S，3R）-叔丁基 N-[4-（N-苄基-4-氟苯磺酰胺基）-3-羟基-1-苯基丁-2-基]氨基甲酸酯
(2S,3R)-tert-Butyl N-[4-(N-benzyl-4-fluoro-benzene-sulfonamido)-3-hy-droxy-1-phenyl-butan-2-yl]carbamate.
作者信息
Moreth Marcele, de Souza Marcus V N, Wardell James L, Wardell Solange M S V, Tiekink Edward R T
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1138-9. doi: 10.1107/S1600536812011440. Epub 2012 Mar 21.
In the title mol-ecule, C(28)H(33)FN(2)O(5)S, the mean plane about the tertiary amine group (sum of the angles subtended at the sp(2)-hybridized N atom = 359.7°) forms a dihedral angle of 16.66 (6)° with the phenyl ring adjacent to the carbamate group. The sulfonamide benzene ring and the hy-droxy group lie to either side of the C(2)NS plane, whereas the benzyl-phenyl (connected to the N atom) and carbamate substituents lie to the other side. Supra-molecular layers propagating in the ac plane are found in the crystal, linked by hy-droxy-sulfonamide O-H⋯O and carbamate-carbamate N-H⋯O hydrogen bonds along with C-H⋯O and C-H⋯π inter-actions.
在标题分子C(28)H(33)FN(2)O(5)S中，叔胺基团周围的平均平面（在sp(2)杂化N原子处所张角度之和 = 359.7°）与氨基甲酸酯基团相邻的苯环形成16.66 (6)°的二面角。磺酰胺苯环和羟基位于C(2)NS平面的两侧，而苄基苯基（连接到N原子）和氨基甲酸酯取代基位于另一侧。在晶体中发现了沿ac平面传播的超分子层，通过羟基 - 磺酰胺O - H⋯O和氨基甲酸酯 - 氨基甲酸酯N - H⋯O氢键以及C - H⋯O和C - H⋯π相互作用相连。
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