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4-Ethyl-3-(3-pyrid-yl)-1H-1,2,4-triazole-5(4H)-thione 0.095-hydrate.

Zareef M, Arfan M, Iqbal R, Parvez M - Acta Crystallogr Sect E Struct Rep Online (2008)

Bottom Line: The title compound, C(9)H(10)N(4)S·0.095H(2)O, consists of discrete 4-ethyl-3-(3-pyrid-yl)-1H-1,2,4-triazole-5(4H)-thione mol-ecules and a disordered mol-ecule of water of hydration with partial occupancy, lying on a twofold rotation axis.The dihedral angle between the pyridine and triazole rings is 41.73 (8)°.In the crystal structure, mol-ecules are hydrogen bonded via triazole NH groups and pyridyl N atoms, forming chains parallel to the a axis.

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ABSTRACT
The title compound, C(9)H(10)N(4)S·0.095H(2)O, consists of discrete 4-ethyl-3-(3-pyrid-yl)-1H-1,2,4-triazole-5(4H)-thione mol-ecules and a disordered mol-ecule of water of hydration with partial occupancy, lying on a twofold rotation axis. The dihedral angle between the pyridine and triazole rings is 41.73 (8)°. In the crystal structure, mol-ecules are hydrogen bonded via triazole NH groups and pyridyl N atoms, forming chains parallel to the a axis.

No MeSH data available.


Unit cell packing of (I) showing hydrogen bonds with dashed lines; H-atoms not involved in H-bonds have been omitted.
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Fap2: Unit cell packing of (I) showing hydrogen bonds with dashed lines; H-atoms not involved in H-bonds have been omitted.


4-Ethyl-3-(3-pyrid-yl)-1H-1,2,4-triazole-5(4H)-thione 0.095-hydrate.

Zareef M, Arfan M, Iqbal R, Parvez M - Acta Crystallogr Sect E Struct Rep Online (2008)

Unit cell packing of (I) showing hydrogen bonds with dashed lines; H-atoms not involved in H-bonds have been omitted.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2961273&req=5

Fap2: Unit cell packing of (I) showing hydrogen bonds with dashed lines; H-atoms not involved in H-bonds have been omitted.
Bottom Line: The title compound, C(9)H(10)N(4)S·0.095H(2)O, consists of discrete 4-ethyl-3-(3-pyrid-yl)-1H-1,2,4-triazole-5(4H)-thione mol-ecules and a disordered mol-ecule of water of hydration with partial occupancy, lying on a twofold rotation axis.The dihedral angle between the pyridine and triazole rings is 41.73 (8)°.In the crystal structure, mol-ecules are hydrogen bonded via triazole NH groups and pyridyl N atoms, forming chains parallel to the a axis.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The title compound, C(9)H(10)N(4)S·0.095H(2)O, consists of discrete 4-ethyl-3-(3-pyrid-yl)-1H-1,2,4-triazole-5(4H)-thione mol-ecules and a disordered mol-ecule of water of hydration with partial occupancy, lying on a twofold rotation axis. The dihedral angle between the pyridine and triazole rings is 41.73 (8)°. In the crystal structure, mol-ecules are hydrogen bonded via triazole NH groups and pyridyl N atoms, forming chains parallel to the a axis.

No MeSH data available.