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Synthesis and crystal structure of 4-(p-methoxyphenyl)-3, 5-bis(4-pyridyl)-1,2,4-triazole

机译:4-(对甲氧基苯基)-3,5-双(4-吡啶基)-1,2,4-三唑的合成及晶体结构

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The 4-(p-methoxyphenyl)-3,5-bis(4-pyridyl)1,2,4-triazole has been synthesized and its crystal structure has been determined by X-ray diffraction methods. It crystallizes in the monoclinic space group P2(1), with a = 12.5832(6) Angstrom, b = 7.0512(5) Angstrom, c = 18.4669(12) Angstrom, beta = 96.826(1)degrees, and D-calc = 1.345 g cm(-1) for Z = 4. In the structure, two pyridyl rings, phenyl ring, and triazole ring do not share a common plane. The most favored orientation of the pyridyl rings in the crystal is that their planes are inclined toward opposite directions with respect to the triazole ring. [References: 17]
机译:合成了4-(对甲氧基苯基)-3,5-双(4-吡啶基)1,2,4-三唑,并通过X射线衍射法测定了其晶体结构。它在单斜空间群P2(1)/ n中结晶,a = 12.5832(6)埃,b = 7.0512(5)埃,c = 18.4669(12)埃,beta = 96.826(1)度,D-对于Z = 4,calc = 1.345 g cm(-1)。在结构中,两个吡啶环,苯环和三唑环不共享同一平面。晶体中吡啶基环最优选的取向是它们的平面相对于三唑环朝相反的方向倾斜。 [参考:17]

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