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

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.

SUBMITTER: Zareef M

PROVIDER: S-EPMC2961273 | biostudies-literature | 2008 Apr

REPOSITORIES: biostudies-literature

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

Zareef Muhammad M Arfan Muhammad M Iqbal Rashid R Parvez Masood M

Acta crystallographica. Section E, Structure reports online 20080430 Pt 5

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. ...[more]

PMID: 21202426

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