CRYSTAL STRUCTURE OF 6-FERROCENYL-3-PHENYL-[1,2,4]TRIAZOLO[3,4-b][1,3,4]THIADIAZOLE

X-ray diffraction monoclinic symmetry triazole thiadiazole ferrocenyl

КРИСТАЛЛИЧЕСКАЯ СТРУКТУРА КАТЕНА-ДИ(2-ТИОБАРБИТУРАТО-O,S)АКВАСВИНЦА(II), ИССЛЕДОВАНИЕ СТРУКТУРЫ И ЭНЕРГЕТИКИ βb-ДИКЕТОНАТОВ. XVIII. МОЛЕКУЛЯРНОЕ СТРОЕНИЕ трис-АЦЕТИЛАЦЕТОНАТОВ ХРОМА И КОБАЛЬТА ПО ДАННЫМ КВАНТОВО-ХИМИЧЕСКИХ РАСЧЕТОВ И МЕТОДА ГАЗОВОЙ ЭЛЕКТРОНОГРАФИИ, ...

Moreover, triazolothiadiazole can be viewed as a cyclic analogue to two very important components: thiosemicarbazide and biguanide, which often display diverse biological properties. <...> Herein, a new compound of the 1,2,4-triazolo[ 3,4b][1,3,4]thiadiazole ring system is synthesized and its X-ray crystal structure is revealed. <...> Then, a mixture of 5-benzoic-4-amino-3-merapto-1,2,4-triazole (1 mmol) and ferrocenecarboxylic acid (1 mmol) in phosphoryl chloride was refluxed for 6 hours. <...> Excess phosphoryl chloride was removed under reduced pressure. <...> Selected bond lengths and angles are listed in Table 2. <...> The titled compound crystallized in a monoclinic crystal system with a P21/c space group, as depicted in Fig. 1. <...> For the ferrocenyl moiety, the distance from Fe(II) to the center of the substituted cyclopentadiene ring (Cps) is 1.368(5) Е, while this distance is 1.375(2) Е for the unsubstituted one (Cp). <...> The bond angle of Cps—Fe—Cp is 177.98(8) Е, which means that central Fe(II) is located almost in the middle of the two cyclopentadiene rings. <...> Furthermore, two cyclopentadiene rings are not parallel to each other with a small dihedral angle of 4.64(5) Е. <...> Molecular structure of the titled compound with the atom numbering scheme. <...> Displacement ellipsoids are drawn at the 30 % probability level Moreover, two weak intramolecular hydrogen bonds were found to be C10—H10ᄷN1 and C13—H13ᄷN4, as depicted in Fig. 1. <...> Possible ᄷ weak interactions between the S2 atom and the adjacent ferrocenyl rings were found to be too weak to be considered. <...> A new compound of 6-ferrocenyl-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is synthesized and its single crystal structure is determined by X-ray diffraction method. <...>

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