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4-Amino-3-(1-naphthyl-oxymeth-yl)-1H-1,2,4-triazole-5(4H)-thione.

ABSTRACT: In the title compound, C(13)H(12)N(4)OS, the dihedral angle between the triazole and naphthalene ring systems is 67.42 (5)°. In the crystal, adjacent mol-ecules are linked via two pairs of inter-molecular N-H⋯S inter-actions, forming R(2) (2)(8) and R(2) (2)(10) ring motifs. Weak C-H⋯S inter-actions generate infinite chains along [001] and the structure is further consolidated by C-H⋯π bonds and aromatic π⋯π stacking inter-actions [distance between the centroids of the triazole rings = 3.2479 (7) Å].

SUBMITTER: Fun HK

PROVIDER: S-EPMC2980099 | biostudies-literature |

REPOSITORIES: biostudies-literature

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4-Amino-3-(p-tolyl-oxymeth-yl)-1H-1,2,4-triazole-5(4H)-thione.

Project description:In the title triazole compound, C(10)H(12)N(4)OS, the triazole ring is essentially planar [maximum deviation = 0.009?(1)?Å] and forms a dihedral angle of 5.78?(4)° with the benzene ring. In the crystal structure, mol-ecules are linked into dimers by centrosymmetric N-H?S inter-actions. These dimers are linked into two-mol-ecule-wide tapes by N-H?N and S?S [3.2634?(3)?Å] inter-actions. In addition, they are further inter-connected by weak N-H?S inter-actions into sheets parallel to the ab plane. The crystal structure is further stabilized by weak inter-molecular C-H?? inter-actions.

| S-EPMC2977210 | biostudies-literature

4-Amino-3-(o-tolyl-oxymeth-yl)-1H-1,2,4-triazole-5(4H)-thione.

Project description:The asymmetric unit of the title compound, C(10)H(12)N(4)OS, contains two independent mol-ecules, A and B, which differ significantly in the relative orientations of the benzene and triazole rings. The dihedral angle between the above two rings is 6.94?(5)° in mol-ecule A and 77.60?(5)° in mol-ecule B. In the crystal, mol-ecules are linked into a three-dimensional network by N-H?S, N-H?O, N-H?N and C-H?S hydrogen bonds and ?-? inter-actions between the benzene and triazole rings [centroid-centroid distance = 3.5311?(6)?Å] are also present.

| S-EPMC2977493 | biostudies-other

4-Amino-3-(4-chloro-phen-yl)-1H-1,2,4-triazole-5(4H)-thione.

Project description:In the title compound, C(8)H(7)ClN(4)S, the benzene ring is statistically disordered over two conformations rotated about the Cl-C?C-C axis, which subtend dihedral angles of 24.7?(3) and 9.9?(2) ° with respect to the triazole ring. An intra-molecular C-H?N close contact occurs. In the crystal, N-H?N and N-H?S hydrogen bonds link the mol-ecules into (001) sheets: R(2) (2)(8) and R(2) (2)(10) graph-set motifs result. Weak C-H?N hydrogen bonds and aromatic ?-? stacking inter-actions [shortest centroid-centroid separation = 3.681?(7)?Å] complete the structure.

| S-EPMC3275198 | biostudies-literature

4-Amino-3-[(4-methoxy-phen-yl)amino-meth-yl]-1H-1,2,4-triazole-5(4H)-thione.

Project description:The mol-ecule of the title compound, C(10)H(13)N(5)OS, is approximately planar, the dihedral angle between the triazole and benzene rings being 4.53 (10)°. The amino group adopts a pyramidal configuration. In the crystal structure, mol-ecules are linked into two-dimensional networks parallel to (001) by inter-molecular N-H⋯S and N-H⋯N hydrogen bonds. In addition, an S⋯S short contact of 3.3435 (7) Å is observed.

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4-Amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione.

Project description:In the title compound, C(8)H(8)N(4)S, the planar triazole ring forms a dihedral angle of 13.7?(2)° with the phenyl ring. The crystal structure is stabilized by inter-molecular N-H?S hydrogen-bond inter-actions, linking the mol-ecules into chains along the a axis.

| S-EPMC2961480 | biostudies-literature

4-Amino-3-(3-meth-oxy-benz-yl)-1H-1,2,4-triazole-5(4H)-thione.

Project description:In the title mol-ecule, C10H12N4SO, the triazole ring forms a dihedral angle of 73.0?(5)° with the benzene ring. The meth-oxy group is approximtely coplanar with the benzene ring with a C C-O-Cmeth-yl torsion angle of 4.7?(3)°. In the crystal, N-H?S hydrogen bonds connect pairs of inversion-related mol-ecules, which are in turn connected by N-H?N hydrogen bonds into chains of rings along [010]. Weak C-H?O hydrogen bonds connect these chains into a two-dimensional network parallel to (-102).

| S-EPMC3648260 | biostudies-literature

3-(4-Nitro-phen-yl)-1H-1,2,4-triazole-5(4H)-thione.

Project description:In the title compound, C(8)H(6)N(4)O(2)S, the 1,2,4-triazole ring and the nitro group form dihedral angles of 6.26?(13) and 9.5?(3)°, respectively, with the phenyl ring. In the crystal, the mol-ecules are linked via pairs of N-H?S hydrogen bonds, generating [010] chains which contain R(2) (2) (8) ring motifs. The crystal structure is further stabilized by ?-? stacking [centroid-centroid distance = 3.5491?(14)?Å] inter-actions.

| S-EPMC3200626 | biostudies-literature

4-{[(E)-(3-Phenyl-1H-pyrazol-4-yl)methyl-idene]amino}-1H-1,2,4-triazole-5(4H)-thione.

Project description:In the title compound, C(12)H(10)N(6)S, a weak intra-molecular C-H?S hydrogen bond stabilizes the mol-ecular conformation. The pyrazole and triazole rings form a dihedral angle of 17.82?(8)°. The mol-ecule adopts an E configuration with respect to the central C=N double bond. In the crystal, inter-molecular N-H?N and N-H?S hydrogen bonds link mol-ecules into chains propagating in [20[Formula: see text]].

| S-EPMC3212330 | biostudies-literature

3-Amino-1H-1,2,4-triazole-5(4H)-thione-4,4'-bipyridine (1/1).

Project description:The title two-component mol-ecular crystal, C(10)H(8)N(2)·C(2)H(4)N(4)S, was obtained unexpectedly by reaction of Zn(NO(3))(2)·6H(2)O, NH(4)BF(4) with 3-amino-1,2,4-triazole-5-thione (3-AMT) and 4,4'-bipyridine in water. The dihedral angle between the pyridine rings in the 4,4'-bipyridine molecule is 17.00?(13)°. In the crystal, N-H?N and N-H?S hydrogen bonds between the components lead to the formation of a three-dimensional network. Furthermore, the structure features face-to-face ?-? stacking inter-actions between the 4,4'-bipyridine and triazole rings, with a centroid-centroid distance of 2.976?(2)?Å.

| S-EPMC3470238 | biostudies-literature

4-[(2-Bromo-benzyl-idene)amino]-3-(pyridin-4-yl)-1H-1,2,4-triazole-5(4H)-thione.

Project description:In the title compound, C(14)H(10)BrN(5)S, the dihedral angle between the triazole ring and the pyridine and bromo-benzene rings are 26.42?(13) and 6.28?(13)°, respectively. The molecule exists as a thione in the solid state. In the crystal, mol-ecules are linked by N-H?N hydrogen bonds, generating [010] C(8) chains.

| S-EPMC3393270 | biostudies-literature

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