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4-[(5-Bromo-2-hy-droxy-benzyl-idene)amino]-3-propyl-1H-1,2,4-triazole-5(4H)-thione.

Wu X, Yuan CX, Ma L, Zhai KL, Zhu ML - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: The asymmetric unit of the title compound, C(12)H(13)BrN(4)OS, contains two independent mol-ecules in which the dihedral angles between the triazole and benzene rings are 2.9 (3) and 7.5 (3)°.The thione group is of the form R(2)C=S.The crystal structure features weak N-H⋯S inter-actions and π-π stacking of the benzene rings [centroid-centroid distance = 3.667 (3) Å].

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ABSTRACT
The asymmetric unit of the title compound, C(12)H(13)BrN(4)OS, contains two independent mol-ecules in which the dihedral angles between the triazole and benzene rings are 2.9 (3) and 7.5 (3)°. The thione group is of the form R(2)C=S. An intra-molecular O-H⋯N hydrogen bond occurs in each mol-ecule. The crystal structure features weak N-H⋯S inter-actions and π-π stacking of the benzene rings [centroid-centroid distance = 3.667 (3) Å].

No MeSH data available.


Molecular structure of the title compound, (I), with displacement ellipsoids drawn at the 50% probability level. Dashed lines indicate O—H···N intramolecular hydrogen bonding.
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Fap1: Molecular structure of the title compound, (I), with displacement ellipsoids drawn at the 50% probability level. Dashed lines indicate O—H···N intramolecular hydrogen bonding.


4-[(5-Bromo-2-hy-droxy-benzyl-idene)amino]-3-propyl-1H-1,2,4-triazole-5(4H)-thione.

Wu X, Yuan CX, Ma L, Zhai KL, Zhu ML - Acta Crystallogr Sect E Struct Rep Online (2012)

Molecular structure of the title compound, (I), with displacement ellipsoids drawn at the 50% probability level. Dashed lines indicate O—H···N intramolecular hydrogen bonding.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3379270&req=5

Fap1: Molecular structure of the title compound, (I), with displacement ellipsoids drawn at the 50% probability level. Dashed lines indicate O—H···N intramolecular hydrogen bonding.
Bottom Line: The asymmetric unit of the title compound, C(12)H(13)BrN(4)OS, contains two independent mol-ecules in which the dihedral angles between the triazole and benzene rings are 2.9 (3) and 7.5 (3)°.The thione group is of the form R(2)C=S.The crystal structure features weak N-H⋯S inter-actions and π-π stacking of the benzene rings [centroid-centroid distance = 3.667 (3) Å].

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The asymmetric unit of the title compound, C(12)H(13)BrN(4)OS, contains two independent mol-ecules in which the dihedral angles between the triazole and benzene rings are 2.9 (3) and 7.5 (3)°. The thione group is of the form R(2)C=S. An intra-molecular O-H⋯N hydrogen bond occurs in each mol-ecule. The crystal structure features weak N-H⋯S inter-actions and π-π stacking of the benzene rings [centroid-centroid distance = 3.667 (3) Å].

No MeSH data available.