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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.

ABSTRACT: The title 1,2,4-triazole compound, C(34)H(34)FN(5)S, exists in a trans configuration with respect to the acyclic C=N bond. An intra-molecular C-H?S contact generates a six-membered ring, producing an S(6) ring motif. The essentially planar 1,2,4-triazole ring [maximum deviation 0.008?(1)?Å] is inclined at 21.43?(5) and 83.03?(6)°, respectively, with respect to the flurophenyl unit and the isobutyl-substituted benzene ring. The diphenyl-amino unit is not planar, as indicated by the dihedral angle between two phenyl rings of 76.95?(6)°. The crystal structure is stabilized by C-H?? and ?-? [centroid-centroid distance = 3.6169?(6)?Å] inter-actions; mol-ecules are stacked along the b axis.

SUBMITTER: Goh JH

PROVIDER: S-EPMC2980061 | biostudies-literature | 2009 Dec

REPOSITORIES: biostudies-literature

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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.

Goh Jia Hao JH Fun Hoong-Kun HK Vinayaka A C AC Kalluraya B B

Acta crystallographica. Section E, Structure reports online 20091209 Pt 1

The title 1,2,4-triazole compound, C(34)H(34)FN(5)S, exists in a trans configuration with respect to the acyclic C=N bond. An intra-molecular C-H⋯S contact generates a six-membered ring, producing an S(6) ring motif. The essentially planar 1,2,4-triazole ring [maximum deviation 0.008 (1) Å] is inclined at 21.43 (5) and 83.03 (6)°, respectively, with respect to the flurophenyl unit and the isobutyl-substituted benzene ring. The diphenyl-amino unit is not planar, as indicated by the dihedral angle ...[more]

PMID: 21580181

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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.

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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.

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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.

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