The crystal structure of 9α-（3-azabicyclo[3,3,1]nonanyl）-2′-cyclopentyl-2′-hydro- xyl-2′-thienylacetate （C16H27NO3S, Mr = 349.48） has been determined by single-crystal X-ray diffraction analysis. The crystal b...The crystal structure of 9α-（3-azabicyclo[3,3,1]nonanyl）-2′-cyclopentyl-2′-hydro- xyl-2′-thienylacetate （C16H27NO3S, Mr = 349.48） has been determined by single-crystal X-ray diffraction analysis. The crystal belongs to orthorhombic, space group P212121 with a = 14.937（3）, b = 8.1673（16）, c = 15.423（3） ,A, V = 1881.5（6） ,A^3, Z = 4, Dc =1.234 g/cm^3, μ = 0.188 mm^-1, F（000） = 752, the final R = 0.0468 and wR = 0.1251. The bicyclo[3,3,1]nonane ring system adopts the most favored twin-chair conformation. The crystal structure shows the existence of intramolecular O-H…O hydrogen bonds by which a one-dimensional chain structure is formed.展开更多
基金The project was supported by NNSFC (No. 203900508)
文摘The crystal structure of 9α-（3-azabicyclo[3,3,1]nonanyl）-2′-cyclopentyl-2′-hydro- xyl-2′-thienylacetate （C16H27NO3S, Mr = 349.48） has been determined by single-crystal X-ray diffraction analysis. The crystal belongs to orthorhombic, space group P212121 with a = 14.937（3）, b = 8.1673（16）, c = 15.423（3） ,A, V = 1881.5（6） ,A^3, Z = 4, Dc =1.234 g/cm^3, μ = 0.188 mm^-1, F（000） = 752, the final R = 0.0468 and wR = 0.1251. The bicyclo[3,3,1]nonane ring system adopts the most favored twin-chair conformation. The crystal structure shows the existence of intramolecular O-H…O hydrogen bonds by which a one-dimensional chain structure is formed.
