5,5′-(p-Phenylene)di-1H-tetrazole
نویسندگان
چکیده
Crystals of the title organic compound, C(8)H(6)N(8), were generated in situ through the [2 + 3]-cyclo-addition reaction involving the precursor 1,4-dicyano-benzene and azide in water with Zn(2+) as Lewis acid. The asymmetric unit consists of one half-mol-ecule, and a twofold axis of symmetry passes through the centre of the benzene ring. There is an inter-molecular N-H⋯N hydrogen bond. The mol-ecules are assembled into a three-dimensional supra-molecular framework by π-π stacking inter-actions, with a perpendicular distance of 3.256 Å [centroid-centroid = 3.9731 (8) Å] between two tetra-zole ring planes, and 3.382 Å between the benz-ene ring and tetra-zole ring planes [centroid-centroid = 3.5010 (9) Å].
منابع مشابه
2,2′-Bis(ferrocenylmethyl)-5,5′-(m-phenylene)di-2H-tetrazole
In the title compound, [Fe(2)(C(5)H(5))(2)(C(20)H(16)N(8))], one of the unsubstituted cyclo-penta-diene (Cp) rings is disordered over two positions, with site-occupancy factors of 0.609 (19) and 0.391 (19). The dihedral angle formed by the benzene ring with the tetra-zole rings are 51.86 (15) and 3.76 (11)°. In the crystal structure, centrosymmetrically related mol-ecules are linked into dimers...
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The title compound, C(6)H(10)N(8)·2H(2)O, was prepared by the reaction of hexanedinitrile and sodium azide. The di-1H-tetra-zole mol-ecule lies on a crystallographic centre of inversion and is linked to the water mol-ecules by N-H⋯O and O-H⋯N hydrogen bonds, forming a two-dimensional supra-molecular structure in the crystal.
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The mutagenicities of 2,2'-(di-3-hydroxyphenyl)-1H,1H'-[5,5']-bisbenzimidazole, 2,2'-(di-4-hydroxyphenyl)-1H,1H'-[5,5']-bisbenzimidazole, 2,2'-(di-3-methoxyphenyl)-1H,1H'-[5,5']-bisbenzimidazole, 2,2'-bis-(4-nitrophenyl)-1H,1H'-[5,5']-bisbenzimidazole, 2,2'-bis-(3-nitrophenyl)-1H,1H'-[5,5']-bisbenzimidazole, 2,2'-bis-(4-methylphenyl)-1H,1H'-[5,5']-bisbenzimidazole, 2,2'-(di-4-methoxyphenyl)-1H,...
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In the crystal structure of the title compound, C(20)H(12)N(6)O(2), the mol-ecules are located on centres of inversion. The complete mol-ecule is almost planar, with a maximum deviation from the mean plane of 0.0657 (1) Å for the O atom. In the crystal, mol-ecules are stacked into columns elongated in the a axis direction. The centroid-centroid distances between the aromatic rings of the mol-ec...
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