3-Ethyl-1H-1,2,4-triazole-5(4H)-thione
نویسندگان
چکیده
The mol-ecule of the title compound, C(4)H(7)N(3)S, exists as the thione tautomer in the solid state. The asymmetric unit consits of one mol-ecule in which all atoms are located on a crystallographic mirror plane. In the crystal, adjacent mol-ecules are linked by N-H⋯N and N-H⋯S hydrogen bonds into chains running along the a axis. π-π stacking inter-actions between the triazole rings [centroid-centroid distance = 3.740 (1) Å and inter-planar distance = 3.376 Å] may further stabilize the structure.
منابع مشابه
4-Ethyl-3-(3-pyridyl)-1H-1,2,4-triazole-5(4H)-thione 0.095-hydrate
The title compound, C(9)H(10)N(4)S·0.095H(2)O, consists of discrete 4-ethyl-3-(3-pyrid-yl)-1H-1,2,4-triazole-5(4H)-thione mol-ecules and a disordered mol-ecule of water of hydration with partial occupancy, lying on a twofold rotation axis. The dihedral angle between the pyridine and triazole rings is 41.73 (8)°. In the crystal structure, mol-ecules are hydrogen bonded via triazole NH groups and...
متن کاملThe crystal structures of three 3-methyl-1H-1,2,4-triazole-5-thiones, including a second polymorph of 4-[(E)-(5-bromo-2-hydroxybenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione and a redetermination of 4-amino-3-methyl-1H-1,2,4-triazole-5(4H)-thione
The structures of three 3-methyl-1H-1,2,4-triazole-5-thione derivatives are reported. The structure of 4-amino-3-methyl-1H-1,2,4-triazole-5(4H)-thione, C3H6N4S, (I), has been redetermined with an improved model for the H atoms: the non-H atoms of (I) all lie on mirror planes in space group Pbcm, and the H atoms of the methyl group are disordered over two sets of reflection-related atomic sites ...
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In the title compound, C(11)H(11)FN(4)S, the dihedral angle between the 1,2,4-triazole ring and the benzene ring is 25.04 (12)° and an intra-moleuclar C-H⋯S inter-action leads to an S(6) ring. In the crystal, inversion dimers linked by pairs of N-H⋯S hydrogen bonds generate R(2) (2)(8) loops.
متن کامل3-Ethyl-4-[(E)-2-methylbenzylideneamino]-1H-1,2,4-triazole-5(4H)-thione
Crystals of the title compound, C(12)H(14)N(4)S, were obtained from a condensation reaction of 4-amino-3-ethyl-1H-1,2,4-triazole-5(4H)-thione and 2-methyl-benzaldehyde. In the mol-ecular structure, there is a short N=C double bond [1.255 (2) Å], and the benzene and triazole rings are located on opposite sites of this double bond. The two rings are approximately parallel to each other, the dihed...
متن کاملSynthesis of some 4-Amino-5-(substituted-phenyl)-4H-[1, 2, 4] triazole-3-thiol derivatives and Antifungal activity
Abstract Despite the remarkable progress in diagnostic and antifungal drugs research in past 10 years ,still complexity of the characteristics of patients continue to make the management of fungal infection is a great challenge .1,2,4-triazole compounds not only offer an interesting chemistry but also their various derivatives possesses diverse chemotherapeutic activity. The recent literatures ...
متن کاملcatena-Poly[copper(I)-di-μ-bromido-copper(I)-bis[μ-4-methyl-1H-1,2,4-triazole-5(4H)-thione-κ2 S:S]]
In the title coordination polymer, [CuBr(C(3)H(5)N(3)S)](n), the Cu(I) atom adopts a tetra-hdral CuS(2)Br(2) coordination geometry arising from two S-bonded 4-methyl-1H-1,2,4-triazole-3(4H)-thione ligands and two bromide ions. Both the S and Br atoms act as bridging ligands, connecting pairs of Cu(I) atoms and generating chains propagating in [100]. Inter-chain N-H⋯N hydrogen bonds generate lay...
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