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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.

ABSTRACT: 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.

SUBMITTER: Wang W

PROVIDER: S-EPMC3051504 | biostudies-literature | 2011 Jan

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-methyl-1H-1,2,4-triazole-5(4H)-thione.

Wang Wei W Gao Yan Y Xiao Zuo-Bing ZB Yao Hong-Guo HG Zhang Jing-Jing JJ

Acta crystallographica. Section E, Structure reports online 20110108 Pt 2

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, π-π 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. ...[more]

PMID: 21522961

Similar Datasets

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.

Project description: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.

| S-EPMC3051956 | 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-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

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

Project description:The asymmetric unit of the title compound, C(21)H(23)ClN(4)S, contains nine crystallographically independent mol-ecules, labelled A to I. The orientation of the 2-[4-(2-methyl-prop-yl)phen-yl]ethyl unit with respect to the rest of the mol-ecule is significantly different in mol-ecules E, F, H and I compared to the other independent mol-ecules. The isobutyl group of mol-ecule B is disordered over two orientations, with occupancies of 0.764?(7) and 0.236?(7). The benzene rings of the chloro-phenyl and methyl-propyl-phenyl units form dihedral angles of 21.90?(11) and 71.47?(11)°, respectively, with the triazole ring in mol-ecule A [9.15?(11) and 80.37?(11)° in B, 7.14?(11) and 84.06?(11)° in C, 25.76?(11) and 76.59?(11)° in D, 13.68?(11) and 76.82?(10)° in E, 8.38?(11) and 69.77?(10)° in F, 30.34?(11) and 78.12?(11)° in G, 21.20?(11) and 71.58?(10)° in H, and 27.65?(11) and 65.23?(11)° in I]. In each independent mol-ecule, a C-H?S hydrogen bond is observed. The crystal packing is stabilized by N-H?S and C-H?S hydrogen bonds, and by C-H?? inter-actions involving the methyl-propyl-phenyl ring.

| S-EPMC2969595 | biostudies-literature

4-Allyl-3-(2-methyl-4-quinol-yl)-1H-1,2,4-triazole-5(4H)-thione.

Project description:In the title compound, C(15)H(14)N(4)S, the quinoline and triazole rings form a dihedral angle of 41.48?(7)°. In the crystal, adjacent mol-ecules are linked by N-H?N hydrogen bonds, forming chains along [100].

| S-EPMC3011746 | biostudies-literature

4-[(E)-(4-Hy-droxy-benzyl-idene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione.

Project description:The title compound, C10H10N4OS, is nearly planar with the mean planes of the hy-droxy-benzyl and triazole rings inclined at an angle of only 3.2 (7)°. In the crystal, O-H⋯N hydrogen bonds between the hy-droxy group and the triazole ring in concert with weak N-H⋯S inter-molecular inter-actions between the triazole ring and thione group form chains along [-210] enclosing R 2 (2)(8) graph-set motifs. A weak intra-molecular C-H⋯S inter-action and inter-molecular π-π inter-actions [centroid-centroid distance = 3.5990 (15) Å] are also observed.

| S-EPMC4051099 | 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}-1-(morpholinometh-yl)-4-(4-nitro-benzyl-ideneamino)-1H-1,2,4-triazole-5(4H)-thione.

Project description:The title ibuprofen-containing Mannich derivative, C(26)H(32)N(6)O(3)S, crystallizes with two independent mol-ecules in the asymmetric unit. The morpholine ring in each mol-ecule adopts a chair conformation. The 1,2,4-triazole ring forms dihedral angles of 2.13?(10) and 75.52?(10)° with the two substituted benzene rings in one mol-ecule, with corresponding values of 19.36?(11)° and 89.03?(10)° in the other. The nitro groups are twisted from the attached benzene ring in each mol-ecule. In the crystal packing, mol-ecules are linked into supra-molecular chains via weak C-H?O, C-H?N and C-H?S inter-actions, and C-H?? and N-O?? links also occur.

| S-EPMC2968455 | biostudies-literature

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