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Rac-3-{4-[(2-Hy-droxy-benzyl-idene)amino]-3-phenyl-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-1-yl}-1,3-diphenyl-propan-1-one.

ABSTRACT: In the title compound, C(30)H(24)N(4)O(2)S, the four phenyl rings of the substituent groups make dihedral angles of 88.1?(2), 81.0?(2), 21.4?(2) and 44.6?(2)° with the triazole group. An intra-molecular hy-droxy-imino O-H?N hydrogen bond results in the formation of an approximately planar (r.m.s deviation = 0.0230?Å) six-membered ring.

SUBMITTER: Liu QL

PROVIDER: S-EPMC3201224 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

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rac-3-{4-[(2-Hy-droxy-benzyl-idene)amino]-3-phenyl-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-1-yl}-1,3-diphenyl-propan-1-one.

Liu Qing-Lei QL Wang Wei W Gao Yan Y Zhang Jing-Jing JJ Jia Xiao-Yu XY

Acta crystallographica. Section E, Structure reports online 20110930 Pt 10

In the title compound, C(30)H(24)N(4)O(2)S, the four phenyl rings of the substituent groups make dihedral angles of 88.1 (2), 81.0 (2), 21.4 (2) and 44.6 (2)° with the triazole group. An intra-molecular hy-droxy-imino O-H⋯N hydrogen bond results in the formation of an approximately planar (r.m.s deviation = 0.0230 Å) six-membered ring. ...[more]

PMID: 22058797

Similar Datasets

rac-3-{4-[(4-Nitro-benzyl-idene)amino]-3-phenyl-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-1-yl}-1,3-diphenyl-propan-1-one.

Project description:In the title mol-ecule, C(30)H(23)N(5)O(3)S, the 1,2,4-triazole ring is approximately planar (r.m.s. deviation = 0.006?Å), and forms dihedral angles of 66.0?(2), 65.1?(2), 30.1?(2) and 28.1?(2)° with the four phenyl rings. The phenyl ring of the benzyl group directly attached to the triazole ring is almost perpendicular to the nitro-phenyl ring, making a dihedral angle of 84.9?(2)°.

| S-EPMC3201282 | biostudies-literature

rac-3-{4-[(Furan-2-ylmethyl-idene)-amino]-3-methyl-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-1-yl}-1,3-diphenyl-propan-1-one.

Project description:In the title mol-ecule, C(23)H(20)N(4)O(2)S, the triazole ring forms dihedral angles of 150.3?(2), 77.3?(2) and 77.6?(2)°, respectively, with the furan ring and the phenyl rings. The furan ring is almost perpendicular to the central phenyl ring, making a dihedral angle of 86.0?(3)°.

| S-EPMC3201430 | biostudies-literature

3-[4-(2-Chloro-benzyl-idene-amino)-3-methyl-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-1,3-diphenyl-propan-1-one.

Project description:In the title mol-ecule, C(25)H(21)ClN(4)OS, the triazole ring forms dihedral angles of 47.9?(2), 84.5?(2) and 3.9?(2)° with the two phenyl rings and the chloro-phenyl ring, respectively. The chloro-phenyl ring, the triazole ring and the conjugative linker between the two aromatic rings are nearly coplanar with an r.m.s. deviation of 0.0483?(2)?Å and a maximum deviation of 0.0911?(2)?Å.

| S-EPMC3200689 | biostudies-literature

3-{4-[(4-Meth-oxy-benzyl-idene)amino]-3-phenyl-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-1-yl}-1,3-diphenyl-propan-1-one.

Project description:In the title mol-ecule, C(31)H(26)N(4)O(2)S, the phenyl ring attached to the 1,2,4-triazole ring forms dihedral angles of 65.4?(2), 63.4?(2) and 62.2?(2)° with the other three rings. The 1,2,4-triazole ring makes dihedral angles of 78.0?(2), 87.9?(2), 24.9?(2) and 62.8?(2)° with three phenyl rings and the methoxyphenyl ring.

| S-EPMC3200732 | biostudies-literature

3-{4-[(2-Hy-droxy-benzyl-idene)amino]-3-methyl-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-1-yl}-1,3-diphenyl-propan-1-one.

Project description:There are two crystallographically independent mol-ecules (A and B) in the asymmetric unit of the title compound, C(25)H(22)N(4)O(2)S, with almost identical mol-ecular conformations. The hy-droxy-phenyl ring plane and the 1,2,4-triazole ring form dihedral angles of 17.1?(2) and 7.4?(2)° in A and B, respectively. The dihedral angles between 1,2,4-triazole ring and the other two phenyl rings are 89.6?(3) and 83.3?(2)° in mol-ecule A, and 89.2?(3) and 82.2?(2)° in mol-ecule B. One intra-molecular O-H?N hydrogen bond is present in each mol-ecule. Weak inter-molecular C-H?O hydrogen bonds consolidate the crystal packing.

| S-EPMC3200874 | biostudies-other

3-[3-Methyl-4-(4-nitro-benzyl-idene-amino)-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-1,3-diphenyl-propan-1-one dichloro-methane monosolvate.

Project description:In the title compound, C(25)H(21)N(5)O(3)S·CH(2)Cl(2), the dichloro-methane solvent mol-ecule is disordered over four positions, with an occupancy ratio of 0.271?(3):0.3884?(18):0.298?(2):0.0424?(15). The 1,2,4-triazole ring makes dihedral angles of 47.3?(2)/87.3?(2) and 3.6?(2)° with the phenyl and nitro-phenyl rings, respectively. An intra-molecular C-H?S hydrogen bond results in the formation of an almost planar six-membered ring [r.m.s. derivation = 0.0051?(2)?Å]. Inter-molecular C-H?O hydrogen bonding consolidates the structure.

| S-EPMC3247519 | biostudies-literature

3-[3-Methyl-4-(3-nitro-benzyl-idene-amino)-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-1,3-diphenyl-propan-1-one.

Project description:In the title mol-ecule, C(25)H(21)N(5)O(3)S, the triazole ring forms dihedral angles of 21.4?(2), 61.4?(2) and 102.4?(2)° with the nitro-phenyl and two phenyl rings, respectively. In the crystal, weak C-H?O hydrogen bonds and ?-? inter-actions between the benzene rings from neighbouring mol-ecules [with a centroid-centroid distance of 3.571?(3)?Å] consolidate the crystal packing.

| S-EPMC3200841 | biostudies-other

3-(4-Amino-3-phenyl-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-1-yl)-3-(2-chloro-phen-yl)-1-phenyl-propan-1-one.

Project description:In the title mol-ecule, C(23)H(19)ClN(4)OS, the 1,2,4-triazole ring forms dihedral angles of 46.5?(2), 87.4?(2) and 80.9?(2)?Å with the three six-membered rings. Weak inter-molecular N-H?S and C-H?O hydrogen bonds consolidate the crystal packing.

| S-EPMC3152103 | biostudies-literature

3-(4-Amino-3-ethyl-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-1-yl)-3-(2-chloro-phen-yl)-1-phenyl-propan-1-one.

Project description:In the title mol-ecule, C(19)H(19)ClN(4)OS, the 1,2,4-triazole ring forms dihedral angles of 86.0?(2) and 65.6?(2)° with the phenyl and chloro-phenyl rings, respectively. In the crystal, inter-molecular N-H?S and N-H?O hydrogen bonds link mol-ecules into centrosymmetric dimers, which are further linked into chains in [001] via weak C-H?? inter-actions.

| S-EPMC3212312 | biostudies-literature

N-[(4-Amino-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-3-yl)meth-yl]-4-methyl-benzamide.

Project description:In the title compound, C(11)H(13)N(5)OS, the dihedral angle between the triazole ring and the benzene ring is 84.21?(7)°. The amino group adopts a pyramidal configuration. An intra-molecular N-H?O hydrogen bond stabilizes the mol-ecular structure and generates an S(8) ring. In the crystal, mol-ecules are linked by inter-molecular N-H?O, N-H?S, N-H?N and C-H?S hydrogen bonds into layers lying parallel to the bc plane. The crystal structure is further stabilized by aromatic ?-? stacking inter-actions [centroid-centroid distance = 3.3330?(7)?Å].

| S-EPMC2983242 | biostudies-literature

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