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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 AA, Alrashood KA, Al-Tamimi AM, Ng SW, Tiekink ER - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: 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.

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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.

No MeSH data available.


A view of the zigzag supramolecular chain along [100] in (I). The O—H···N hydrogen bonds are shown as orange dashed lines.
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Fap2: A view of the zigzag supramolecular chain along [100] in (I). The O—H···N hydrogen bonds are shown as orange dashed lines.


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 AA, Alrashood KA, Al-Tamimi AM, Ng SW, Tiekink ER - Acta Crystallogr Sect E Struct Rep Online (2012)

A view of the zigzag supramolecular chain along [100] in (I). The O—H···N hydrogen bonds are shown as orange dashed lines.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3295449&req=5

Fap2: A view of the zigzag supramolecular chain along [100] in (I). The O—H···N hydrogen bonds are shown as orange dashed lines.
Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

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.

No MeSH data available.