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2-Meth-oxy-N-[5-(2-methoxy-phen-yl)-1,3,4-thia-diazol-2-yl]benzamide hemi-hydrate.

ABSTRACT: In the mol-ecule of the title compound, C(17)H(15)N(3)O(3)S·0.5H(2)O, the thia-diazole ring is oriented with respect to the two 2-methoxy-phenyl rings at dihedral angles of 3.70?(3) and 1.74?(2)°. An intra-molecular N-H?O hydrogen bond results in the formation of a planar six-membered ring, which is oriented with respect to the thia-diazole ring at a dihedral angle of 1.33?(3)°. Thus, all of the rings are nearly coplanar. In the crystal structure, inter-molecular O-H?N and C-H?O hydrogen bonds link the mol-ecules.

SUBMITTER: Yin LH 

PROVIDER: S-EPMC2962244 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

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2-Meth-oxy-N-[5-(2-methoxy-phen-yl)-1,3,4-thia-diazol-2-yl]benzamide hemi-hydrate.

Yin Li-He LH   Wan Rong R   Han Feng F   Wang Bin B   Wang Jin-Tang JT  

Acta crystallographica. Section E, Structure reports online 20080731 Pt 8

In the mol-ecule of the title compound, C(17)H(15)N(3)O(3)S·0.5H(2)O, the thia-diazole ring is oriented with respect to the two 2-methoxy-phenyl rings at dihedral angles of 3.70 (3) and 1.74 (2)°. An intra-molecular N-H⋯O hydrogen bond results in the formation of a planar six-membered ring, which is oriented with respect to the thia-diazole ring at a dihedral angle of 1.33 (3)°. Thus, all of the rings are nearly coplanar. In the crystal structure, inter-molecular O-H⋯N and C-H⋯O hydrogen bonds l  ...[more]

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