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Synthesis and Crystal Structure of 2-(4-Fluoro-2-(4-fluorophenoxy)phenyl)-1-(1H-1,2,4-triazol-1-ylmethyl)-3-methoxy-isopropy Alcohol

Synthesis and Crystal Structure of 2-(4-Fluoro-2-(4-fluorophenoxy)phenyl)-1-(1H-1,2,4-triazol-1-ylmethyl)-3-methoxy-isopropy Alcohol
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摘要 The title compound 2-(4-fluoro-2-(4-fluorophenoxy)phenyl)-1-(1H-1,2,4-triazol- 1-ylmethyl)-3-methoxy-isopropy alcohol has been synthesized by the treatment of 1-[2-(4-fluoro- 2-(4-fluorophenoxy)phenyl)-2,3-epoxypropyl]-1H-1,2,4-triazole with sodium methoxide. It belongs to orthorhombic, space group P212121, with a = 9.7229(19), b = 11.516(2), c = 16.047(3)A, C18H17F2 N3O3, Mr = 361.35, V = 1796.7(6)A^3, Z = 4, Dc = 1.3359 g/cm^3, F(000) = 752, p = 0.106 mm^-1, the final R = 0.0329 and wR = 0.0803 for 1821 unique reflections. The dihedral angles made by the triazole ring with two benzene rings are 43.56(3) and 54.78(2)°, respectively. The intermolecular hydrogen bond in the crystal lattice plays an important role in stabilizing the structure. The title compound 2-(4-fluoro-2-(4-fluorophenoxy)phenyl)-1-(1H-1,2,4-triazol- 1-ylmethyl)-3-methoxy-isopropy alcohol has been synthesized by the treatment of 1-[2-(4-fluoro- 2-(4-fluorophenoxy)phenyl)-2,3-epoxypropyl]-1H-1,2,4-triazole with sodium methoxide. It belongs to orthorhombic, space group P212121, with a = 9.7229(19), b = 11.516(2), c = 16.047(3)A, C18H17F2 N3O3, Mr = 361.35, V = 1796.7(6)A^3, Z = 4, Dc = 1.3359 g/cm^3, F(000) = 752, p = 0.106 mm^-1, the final R = 0.0329 and wR = 0.0803 for 1821 unique reflections. The dihedral angles made by the triazole ring with two benzene rings are 43.56(3) and 54.78(2)°, respectively. The intermolecular hydrogen bond in the crystal lattice plays an important role in stabilizing the structure.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2009年第8期963-966,共4页 结构化学(英文)
关键词 1 2 4-TRIAZOLE crystal structure synthesis 1,2,4-triazole, crystal structure, synthesis
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