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4-(4-Bromo-benzyl-ideneamino)-1-(diphenyl-amino-meth-yl)-3-[1-(4-isobutyl-phen-yl)eth-yl]-1H-1,2,4-triazole-5(4H)-thione.

ABSTRACT: In the title compound, C(34)H(34)BrN(5)S, the two phenyl rings of the diphenyl-amino-methyl group are inclined at an angle of 73.86?(8)° and they form dihedral angles of 74.04?(8) and 48.74?(8)° with the triazole ring. Intra-molecular C-H?S hydrogen bonds generate S(6) and S(5) ring motifs. The crystal structure is stabilized by weak C-H?? inter-actions.

SUBMITTER: Fun HK

PROVIDER: S-EPMC2961489 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

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4-(4-Bromo-benzyl-ideneamino)-1-(diphenyl-amino-meth-yl)-3-[1-(4-isobutyl-phen-yl)eth-yl]-1H-1,2,4-triazole-5(4H)-thione.

Fun Hoong-Kun HK Jebas Samuel Robinson SR Sujith K V KV Patil P S PS Kalluraya B B Dharmaprakash S M SM

Acta crystallographica. Section E, Structure reports online 20080507 Pt 6

In the title compound, C(34)H(34)BrN(5)S, the two phenyl rings of the diphenyl-amino-methyl group are inclined at an angle of 73.86 (8)° and they form dihedral angles of 74.04 (8) and 48.74 (8)° with the triazole ring. Intra-molecular C-H⋯S hydrogen bonds generate S(6) and S(5) ring motifs. The crystal structure is stabilized by weak C-H⋯π inter-actions. ...[more]

PMID: 21202529

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4-[(E)-4-Bromo-benzyl-ideneamino]-3-[1-(4-isobutyl-phen-yl)eth-yl]-1H-1,2,4-triazole-5(4H)-thione.

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(E)-1-[(Diphenyl-amino)meth-yl]-4-(4-fluoro-benzyl-ideneamino)-3-[1-(4-iso-butyl-phen-yl)eth-yl]-1H-1,2,4-triazole-5(4H)-thione.

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4-[(4-Fluoro-benzyl-idene)amino]-3-[1-(4-isobutyl-phen-yl)eth-yl]-1H-1,2,4-triazole-5(4H)-thione.

Project description:In the title compound, C(21)H(23)FN(4)S, the benzene rings of the isobutyl-phenyl and fluoro-benzene units form dihedral angles of 75.89 (7) and 13.26 (7)°, respectively, with the triazole ring. An intra-molecular C-H⋯S hydrogen-bonding contact generates an S(6) ring motif. In the crystal packing, pairs of N-H⋯S hydrogen bonds link neighbouring mol-ecules into inversion dimers, forming R(2) (2)(8) ring motifs. The crystal structure is further stabilized by C-H⋯π inter-actions.

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4-(4-Bromo-benzyl-ideneamino)-3-{1-[4-(2-methyl-prop-yl)phen-yl]eth-yl}-1-(mor-phol-ino-meth-yl)-1H-1,2,4-triazole-5(4H)-thione.

Project description:There are two mol-ecules (A and B) in the asymmetric unit of the title compound, C(26)H(32)BrN(5)OS, with almost identical geometry. The morpholine ring adopts the usual chair conformation in both mol-ecules. The triazole ring forms dihedral angles of 4.84 (6) and 74.19 (6)°, respectively, with the bromo-phenyl and isobutylbenzene rings in mol-ecule A, and angles of 16.68 (7) and 87.29 (6)°, respectively, in mol-ecule B. Intra-molecular C-H⋯S hydrogen bonds generate S(5) and S(6) ring motifs in both independent mol-ecules. The crystal structure is stabilized by C-H⋯N, C-H⋯Br and C-H⋯O hydrogen-bonding inter-actions, together with C-H⋯π inter-actions.

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

Project description:In the title compound, C(22)H(26)N(4)OS, the benzene rings of the (2-methyl-prop-yl)phenyl and 4-methoxy-phenyl units form dihedral angles of 66.85 (3) and 25.96 (3)°, respectively, with the triazole ring. The dihedral angle between the two benzene rings is 87.42 (2)°. The -CH(CH(3)) linkage is disordered over two orientations with occupancies of 0.907 (3) and 0.093 (3). An intra-molecular C-H⋯S hydrogen bond generates an S(6) ring motif. Inter-molecular N-H⋯S hydrogen bonds and C-H⋯π inter-actions are observed.

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4-[(E)-2,6-Dichloro-benzyl-ideneamino]-3-{1-[4-(2-methyl-prop-yl)phen-yl]eth-yl}-1H-1,2,4-triazole-5(4H)-thione.

Project description:In the title Schiff base compound, C(21)H(22)Cl(2)N(4)S, the triazole ring makes dihedral angles of 2.15 (11) and 87.48 (11)° with the 2,6-dichloro-phenyl and methyl-propyl-phenyl rings, respectively. Weak intra-molecular C-H⋯S and C-H⋯Cl inter-actions generate S(6) and S(5) ring motifs, respectively. In the crystal structure, centrosymmetrically related mol-ecules are linked into dimers by N-H⋯S hydrogen bonds. These dimers are arranged into sheets parallel to the ab plane and are stacked along the c axis. C-H⋯π inter-actions involving the methyl-propyl-phenyl ring and π-π inter-actions involving the dichloro-phenyl ring [centroid-centroid distance = 3.5865 (3) Å] are also observed.

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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.

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