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5-(2-Meth-oxy-phen-yl)-1,3,4-thia-diazol-2-yl 2-meth-oxy-benzoate hemihydrate.

ABSTRACT: In the title compound, C(17)H(14)N(2)O(4)S·0.5H(2)O, the mol-ecule, with the exception of the two meth-oxy-phenyl groups, is nearly planar with an r.m.s. deviation of 0.0305?Å. The two 2-meth-oxy-phenyl rings make dihedral angles of 4.1?(3) and 2.3?(3)° with the thia-diazole ring. In the crystal, inter-molecular C-H?O and O-H?N hydrogen bonds link the mol-ecules.

SUBMITTER: Yao JH

PROVIDER: S-EPMC3089082 | biostudies-other | 2011 May

REPOSITORIES: biostudies-other

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5-(2-Meth-oxy-phen-yl)-1,3,4-thia-diazol-2-yl 2-meth-oxy-benzoate hemihydrate.

Yao Jin-Hua JH Guo Bing B An Kang K Guan Jian-Ning JN

Acta crystallographica. Section E, Structure reports online 20110407 Pt 5

In the title compound, C(17)H(14)N(2)O(4)S·0.5H(2)O, the mol-ecule, with the exception of the two meth-oxy-phenyl groups, is nearly planar with an r.m.s. deviation of 0.0305 Å. The two 2-meth-oxy-phenyl rings make dihedral angles of 4.1 (3) and 2.3 (3)° with the thia-diazole ring. In the crystal, inter-molecular C-H⋯O and O-H⋯N hydrogen bonds link the mol-ecules. ...[more]

PMID: 21754373

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