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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.


Packing of the title compound, (I),viewed along the aaxis. Dashed lines indicate O—H···N intramolecular hydrogen bonds and weak N—H···S intermolecular interactions. Remaining hydrogen atoms have been removed for clarity.
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Fap2: Packing of the title compound, (I),viewed along the aaxis. Dashed lines indicate O—H···N intramolecular hydrogen bonds and weak N—H···S intermolecular interactions. Remaining hydrogen atoms have been removed for clarity.


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)

Packing of the title compound, (I),viewed along the aaxis. Dashed lines indicate O—H···N intramolecular hydrogen bonds and weak N—H···S intermolecular interactions. Remaining hydrogen atoms have been removed for clarity.
© Copyright Policy - open-access
Related In: Results  -  Collection

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

Fap2: Packing of the title compound, (I),viewed along the aaxis. Dashed lines indicate O—H···N intramolecular hydrogen bonds and weak N—H···S intermolecular interactions. Remaining hydrogen atoms have been removed for clarity.
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.