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Synthesis and Crystal Structure of N-[(3aR,4R,4aR,5aS,6S,6aS)-1,3-Dioxo-octahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl]-4-(trifluoromethyl)phenylmethanimine Monohydrate

Synthesis and Crystal Structure of N-[(3aR,4R,4aR,5aS,6S,6aS)-1,3-Dioxo-octahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl]-4-(trifluoromethyl)phenylmethanimine Monohydrate
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摘要 The crystal structure of the title compound (C19H17F3N2O4, Mr = 394.35) was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group C2/c with a = 28.383(6), b = 10.355(2), c = 12.799(3) A, β = 111.74(3)°, V= 3493.8(12) A3, Z = 8, De = 1.499 g,/cm3, λ(MoKα) = 0.71073, F(000) = 1632,μ = 0.127 mm^-1, R = 0.0412 and wR = 0.1019. In the title compound, there exist three intermolecular hydrogen interactions (O(4)...O(1), 0(4)...0(3) and O(4)...N(1)) between water. The neighboring molecules are linked to each other generating a two-dimensional network structure via the three intermolecular hydrogen bonds and π-π interactions shaped by phen-phen with centroid distance of 4.049 A. The crystal structure of the title compound (C19H17F3N2O4, Mr = 394.35) was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group C2/c with a = 28.383(6), b = 10.355(2), c = 12.799(3) A, β = 111.74(3)°, V= 3493.8(12) A3, Z = 8, De = 1.499 g,/cm3, λ(MoKα) = 0.71073, F(000) = 1632,μ = 0.127 mm^-1, R = 0.0412 and wR = 0.1019. In the title compound, there exist three intermolecular hydrogen interactions (O(4)...O(1), 0(4)...0(3) and O(4)...N(1)) between water. The neighboring molecules are linked to each other generating a two-dimensional network structure via the three intermolecular hydrogen bonds and π-π interactions shaped by phen-phen with centroid distance of 4.049 A.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2010年第7期1043-1046,共4页 结构化学(英文)
关键词 ST246 monohydrate crystal structure synthesis ST246 monohydrate, crystal structure, synthesis
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