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1-(2-Benzoyl-1-phenyl-eth-yl)-4-[(2-hy-droxy-1-naphth-yl)methyl-idene-amino]-3-phenyl-1H-1,2,4-triazole-5(4H)-thione.

ABSTRACT: In the title mol-ecule, C(34)H(26)N(4)O(2)S, the hy-droxy group is involved in an intra-molecular O-H⋯N hydrogen bond. The naphthyl ring system and the central triazole ring form a dihedral angle of 37.8 (1)°. The crystal packing exhibits weak inter-molecular C-H⋯O and C-H⋯π inter-actions.

SUBMITTER: Wang W

PROVIDER: S-EPMC3051956 | biostudies-literature | 2011 Feb

REPOSITORIES: biostudies-literature

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1-(2-Benzoyl-1-phenyl-eth-yl)-4-[(2-hy-droxy-1-naphth-yl)methyl-idene-amino]-3-phenyl-1H-1,2,4-triazole-5(4H)-thione.

Wang Wei W Yao Hong-Guo HG Gao Yan Y Zhang Jing-Jing JJ Jia Xiao-Yu XY

Acta crystallographica. Section E, Structure reports online 20110219 Pt 3

In the title mol-ecule, C(34)H(26)N(4)O(2)S, the hy-droxy group is involved in an intra-molecular O-H⋯N hydrogen bond. The naphthyl ring system and the central triazole ring form a dihedral angle of 37.8 (1)°. The crystal packing exhibits weak inter-molecular C-H⋯O and C-H⋯π inter-actions. ...[more]

PMID: 21522423

Similar Datasets

1-(2-Benzoyl-1-phenyl-eth-yl)-4-[(2-hy-droxy-1-naphth-yl)methyl-idene-amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione.

Project description:In the title compound, C(29)H(24)N(4)O(2)S, intra-molecular O-H?N hydrogen bonding influences the mol-ecular conform-ation; the naphthol system and triazole ring form a dihedral angle of 3.88?(7)°. In the crystal, ?-? inter-actions between the five- and six-membered rings of neighbouring mol-ecules [centroid-centroid distances = 3.541?(3) and 3.711?(3)?Å] consolidate the crystal packing.

| S-EPMC3051504 | biostudies-literature

rac-4-Amino-1-(2-benzoyl-1-phenyl-eth-yl)-3-methyl-1H-1,2,4-triazole-5(4H)-thione.

Project description:The title compound, C(18)H(18)N(4)OS, has an almost planar 1,2,4-triazole ring [r.m.s. deviation = 0.0036?(2)?Å], which makes dihedral angles of 78.5?(2) and 77.6?(11)° with the two phenyl rings. An intra-molecular N-H?S inter-action occurs. In the crystal, mol-ecules are linked by an inter-molecular three-centre N-H?(O,S) cyclic hydrogen-bonding inter-action.

| S-EPMC3051463 | biostudies-literature

4-Amino-1-(2-benzoyl-1-phenyl-eth-yl)-3-phenyl-1H-1,2,4-triazol-5(4H)-thione.

Project description:In the title compound, C(23)H(20)N(4)OS, the two phenyl rings of the diphenyl-propanone fragment form a dihedral angle of 86.8 (1)°, and the third phenyl ring attached to the triazole ring is twisted from the latter at 40.1 (1)°. In the crystal, mol-ecules are paired into centrosymmetric dimers via pairs of inter-molecular N-H⋯O and N-H⋯S hydrogen bonds.

| S-EPMC3051625 | biostudies-literature

3-{1-[4-(2-Methyl-prop-yl)phen-yl]eth-yl}-4-phenyl-1H-1,2,4-triazole-5(4H)-thione.

Project description:In the title compound, C(20)H(23)N(3)S, the central 1,2,4-triazole ring makes dihedral angles of 69.76 (9) and 81.69 (8)°, respectively, with the phenyl and benzene rings. In the crystal, mol-ecules are linked into a centrosymmetric dimer by a pair of inter-molecular N-H⋯S hydrogen bonds, generating an R(2) (2)(8) ring motif.

| S-EPMC3212329 | biostudies-literature

3-(1-Adamant-yl)-4-amino-1-(2-benzoyl-1-phenyl-eth-yl)-1H-1,2,4-triazol-5(4H)-thione.

Project description:In the title compound, C(27)H(30)N(4)OS, the 3-(adamantan-1-yl)-4-amino-1H-1,2,4-triazole-5(4H)-thione unit and the O atom are each disordered over two sets of sites with refined site-occupancies of 0.7630 (13) and 0.2370 (13). The 1,2,4-triazole ring of the major component forms dihedral angles of 62.61 (17) and 61.93 (16)° with the benzene rings, while that of the minor component makes corresponding angles of 86.3 (4) and 79.1 (4)°. The dihedral angle between the benzene rings is 39.21 (16)°. The mol-ecular structure is stabilized by an intra-molecular C-H⋯N hydrogen bond, which generates an S(6) ring motif. In the crystal, mol-ecules are linked into inversion dimers by pairs of N-H⋯S hydrogen bonds.

| S-EPMC3344558 | biostudies-literature

3-[1-(4-Isobutyl-phen-yl)eth-yl]-1H-1,2,4-triazole-5(4H)-thione.

Project description:In the title compound, C(14)H(19)N(3)S, the dihedral angle between the mean planes of the five- and six-membered rings is 74.69 (4)°. Pairs of inter-molecular N-H⋯S inter-actions link neighbouring mol-ecules into dimers with R(2) (2)(8) ring motifs. These dimers are then linked together by the same type of inter-actions into an infinite one-dimensional chain along the b axis.

| S-EPMC2968424 | biostudies-literature

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

Project description:In the title compound, C9H10N4OS, the dihedral angle between the benzene and 1H-1,2,4-triazole-5(4H)-thione rings is 67.51 (16)°. In the crystal, mol-ecules are liked via N-H⋯O hydrogen bonds, forming chains along the c-axis direction. The chains are linked via O-H⋯S hydrogen bonds, forming corrugated layers lying parallel to the bc plane. The layers are linked via N-H⋯N and N-H⋯S hydrogen bonds, forming a three-dimensional network.

| S-EPMC3914088 | biostudies-literature

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

3-(Adamantan-1-yl)-4-phenyl-1-[(4-phenyl-piperazin-1-yl)meth-yl]-1H-1,2,4-triazole-5(4H)-thione.

Project description:The title mol-ecule, C(29)H(35)N(5)S, displays a chair-shaped piperazine ring, as well as an approximately planar triazole ring (r.m.s. deviation = 0.001?Å) whose phenyl substituent is nearly perpendicular to the mean plane of the five-membered ring [dihedral angle = 88.9?(1)°]. The substituents on the piperazine ring occupy equatorial sites. In the crystal, the adamantyl cage is disordered over two sets of sites with a major component of 67.8?(5)%. Weak inter-molecular C-H?S hydrogen bonding is present in the crystal.

| S-EPMC3275029 | biostudies-literature

4-Amino-3-{1-[4-(2-methyl-prop-yl)phen-yl]eth-yl}-1H-1,2,4-triazole-5(4H)-thione.

Project description:In the title triazole compound, C(14)H(20)N(4)S, the dihedral angle between the triazole and benzene rings is 83.29 (11)°. The methine H atom and two methyl groups of the isobutyl group are disordered over two sites with occupancies of 0.684 (9) and 0.316 (9). In the crystal structure, N-H⋯S hydrogen bonds link the mol-ecules into chains running along the b axis. These chains are cross-linked into a two-dimensional network parallel to the ab plane by C-H⋯S hydrogen bonds.

| S-EPMC2962189 | biostudies-literature

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