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3-(Adamantan-1-yl)-1-[(4-ethyl-piperazin-1-yl)meth-yl]-4-[(E)-(4-hy-droxy-benzyl-idene)amino]-1H-1,2,4-triazole-5(4H)-thione.

ABSTRACT: In the title thione, C(26)H(36)N(6)OS, the 1,2,4-triazole ring is planar (r.m.s. deviation = 0.020?Å) and the benzene ring is twisted out of this plane [dihedral angle = 62.35?(12)°]. Supra-molecular zigzag chains feature in the crystal packing. These are sustained by O-H?N(piperazine) hydrogen bonds, and are connected into the three-dimensional crystal structure by C-H?S and C-H?O inter-actions. The crystal studied was a racemic twin.

SUBMITTER: El-Emam AA

PROVIDER: S-EPMC3295449 | biostudies-other | 2012 Mar

REPOSITORIES: biostudies-other

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3-(Adamantan-1-yl)-1-[(4-ethyl-piperazin-1-yl)meth-yl]-4-[(E)-(4-hy-droxy-benzyl-idene)amino]-1H-1,2,4-triazole-5(4H)-thione.

El-Emam Ali A AA Alrashood Khalid A KA Al-Tamimi Abdul-Malek S AM Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20120210 Pt 3

In the title thione, C(26)H(36)N(6)OS, the 1,2,4-triazole ring is planar (r.m.s. deviation = 0.020 Å) and the benzene ring is twisted out of this plane [dihedral angle = 62.35 (12)°]. Supra-molecular zigzag chains feature in the crystal packing. These are sustained by O-H⋯N(piperazine) hydrogen bonds, and are connected into the three-dimensional crystal structure by C-H⋯S and C-H⋯O inter-actions. The crystal studied was a racemic twin. ...[more]

PMID: 22412560

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