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3-Methyl-4-[(E)-3-thien-ylmethyl-idene-amino]-1H-1,2,4-triazole-5(4H)-thione.

Asad M, Oo CW, Osman H, Yeap CS, Fun HK - Acta Crystallogr Sect E Struct Rep Online (2010)

Bottom Line: An intra-molecular C-H⋯S hydrogen bond stabilizes the mol-ecular conformation of the planar molecule.In the crystal, the two mol-ecules are inter-connected by N-H⋯S hydrogen bonds into dimers, which are further consolidated into chains along the b axis by C-H⋯N hydrogen bonds.Weak C-H⋯π and π-π inter-actions [centroid-centroid distance = 3.5149 (7) Å] are also observed.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The asymmetric unit of the title compound, C(8)H(8)N(4)S(2), contains two crystallographically independent mol-ecules. The thio-phene ring of one mol-ecule is disordered over two positions with refined site occupancies of 0.6375 (19) and 0.3625 (19). One mol-ecule is almost planar and the other one is twisted, the dihedral angles between the thio-phene and triazole rings being 7.28 (7) and 48.9 (2)° [48.5 (4)° for the minor component], respectively. An intra-molecular C-H⋯S hydrogen bond stabilizes the mol-ecular conformation of the planar molecule. In the crystal, the two mol-ecules are inter-connected by N-H⋯S hydrogen bonds into dimers, which are further consolidated into chains along the b axis by C-H⋯N hydrogen bonds. Weak C-H⋯π and π-π inter-actions [centroid-centroid distance = 3.5149 (7) Å] are also observed.

No MeSH data available.


Related in: MedlinePlus

The crystal packing of the title compound viewed down the c axis showing chains along the b axis. Only the major component of disorder is shown. Intermolecular hydrogen bonds are shown as dashed lines.
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Fap2: The crystal packing of the title compound viewed down the c axis showing chains along the b axis. Only the major component of disorder is shown. Intermolecular hydrogen bonds are shown as dashed lines.


3-Methyl-4-[(E)-3-thien-ylmethyl-idene-amino]-1H-1,2,4-triazole-5(4H)-thione.

Asad M, Oo CW, Osman H, Yeap CS, Fun HK - Acta Crystallogr Sect E Struct Rep Online (2010)

The crystal packing of the title compound viewed down the c axis showing chains along the b axis. Only the major component of disorder is shown. Intermolecular hydrogen bonds are shown as dashed lines.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3009062&req=5

Fap2: The crystal packing of the title compound viewed down the c axis showing chains along the b axis. Only the major component of disorder is shown. Intermolecular hydrogen bonds are shown as dashed lines.
Bottom Line: An intra-molecular C-H⋯S hydrogen bond stabilizes the mol-ecular conformation of the planar molecule.In the crystal, the two mol-ecules are inter-connected by N-H⋯S hydrogen bonds into dimers, which are further consolidated into chains along the b axis by C-H⋯N hydrogen bonds.Weak C-H⋯π and π-π inter-actions [centroid-centroid distance = 3.5149 (7) Å] are also observed.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The asymmetric unit of the title compound, C(8)H(8)N(4)S(2), contains two crystallographically independent mol-ecules. The thio-phene ring of one mol-ecule is disordered over two positions with refined site occupancies of 0.6375 (19) and 0.3625 (19). One mol-ecule is almost planar and the other one is twisted, the dihedral angles between the thio-phene and triazole rings being 7.28 (7) and 48.9 (2)° [48.5 (4)° for the minor component], respectively. An intra-molecular C-H⋯S hydrogen bond stabilizes the mol-ecular conformation of the planar molecule. In the crystal, the two mol-ecules are inter-connected by N-H⋯S hydrogen bonds into dimers, which are further consolidated into chains along the b axis by C-H⋯N hydrogen bonds. Weak C-H⋯π and π-π inter-actions [centroid-centroid distance = 3.5149 (7) Å] are also observed.

No MeSH data available.


Related in: MedlinePlus