Synthesis and Crystal Structure of (S)-N-(hexahydro-2-oxo-1H-azepin-3-yl)-3-phenyl-2-propenamide

Citation: LI Xiao-Lin, FANG Zheng, ZHANG Feng, ZENG Wen-Bo, GUO Kai. Synthesis and Crystal Structure of (S)-N-(hexahydro-2-oxo-1H-azepin-3-yl)-3-phenyl-2-propenamide[J]. Chinese Journal of Structural Chemistry, 2014, 33(6): 851-854. shu

Synthesis and Crystal Structure of (S)-N-(hexahydro-2-oxo-1H-azepin-3-yl)-3-phenyl-2-propenamide

a.
a. School of Pharmaceutical Sciences, Nanjing University of Technology, Nanjing 211816, China;
b.
b. College of Biotechnology and Pharmaceutical Engineering, Nanjing University of Technology, Nanjing 211816, China
基金项目:
Supported by the National Key Basic Research Program of China (973 Program) (2012CB725204 (973 Program)

the Natural Science Foundation of Jiangsu Province (No. BK20130913) (No. BK20130913)

Innovative Research Team in University (No. IRT1066) (No. IRT1066)

摘要: The title compound (S)-N-(hexahydro-2-oxo-1H-azepin-3-yl)-3-phenyl-2-propenamide (C₁₅H₁₈N₂O₂, M_r=258.31) was synthesized by the reaction of (S)-α-amino-ε-caprolactam with 3-phenyl-2-propenoyl chloride. Its chemical structure was determined by ¹H NMR, ¹³C NMR, H RMS and X-ray single-crystal diffraction. The crystal belongs to the monoclinic system, space group P2₁/c with a=14.957(3), b=4.884(1), c=18.630(4)Å, β=95.91(3)°, V=1353.7(5)Å³, Z=4, D_c=1.267 g/cm³, μ=0.085 mm^-1, F(000)=552, R=0.0671 and wR=0.1547 for 2473 observed reflections with I>2σ(I).

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