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4-[2-(4-Meth-oxy-phen-yl)eth-yl]-3-(thio-phen-2-ylmeth-yl)-1H-1,2,4-triazol-5(4H)-one monohydrate.

ABSTRACT: In the title compound, C(16)H(17)N(3)O(2)S·H(2)O, the triazole ring makes a dihedral angle of 34.63?(6)° with the benzene ring. The thio-phene ring is disordered over two orientations [occupancy ratio = 0.634?(4):0.366?(4)] which make dihedral angles of 54.61?(16) and 54.57?(31)° with the triazole ring. Inter-molecular N-H?O and O-H?O hydrogen bonds stabilize the crystal structure.

SUBMITTER: Gurumoorthy A

PROVIDER: S-EPMC3238856 | biostudies-other | 2011 Dec

REPOSITORIES: biostudies-other

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4-[2-(4-Meth-oxy-phen-yl)eth-yl]-3-(thio-phen-2-ylmeth-yl)-1H-1,2,4-triazol-5(4H)-one monohydrate.

Gurumoorthy Anuradha A Gopalsamy Vasuki V Ramamurthi K K Unlüer Dilek D Celik Fatih F

Acta crystallographica. Section E, Structure reports online 20111105 Pt 12

In the title compound, C(16)H(17)N(3)O(2)S·H(2)O, the triazole ring makes a dihedral angle of 34.63 (6)° with the benzene ring. The thio-phene ring is disordered over two orientations [occupancy ratio = 0.634 (4):0.366 (4)] which make dihedral angles of 54.61 (16) and 54.57 (31)° with the triazole ring. Inter-molecular N-H⋯O and O-H⋯O hydrogen bonds stabilize the crystal structure. ...[more]

PMID: 22199709

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