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8-{[3-(3-Meth-oxy-phen-yl)-1,2,4-oxa-diazol-5-yl]meth-oxy}quinoline monohydrate.


ABSTRACT: In the title hydrate, C19H15N3O3·H2O, the three aromatic groups in the quinoline derivative are close to coplanar: the central oxa-diazole fragment makes dihedral angles of 15.7?(2)° with the benzene ring and 5.30?(14)° with the quinoline ring system. In the crystal, the organic mol-ecules are connected with water mol-ecules by pairs of O-H?N hydrogen bonds involving the quinoline and oxa-diazole N atoms. The mol-ecules form stacks along the a axis, neighboring mol-ecules within each stack being related by inversion and the shortest distance between the centroids of the oxa-diazole and pyridine rings being 3.500?(2)?Å. Mol-ecules from neighboring stacks are linked by weak C-H?O hydrogen bonds, forming a three-dimensional structure.

SUBMITTER: Shen H 

PROVIDER: S-EPMC3648286 | biostudies-literature | 2013 May

REPOSITORIES: biostudies-literature

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8-{[3-(3-Meth-oxy-phen-yl)-1,2,4-oxa-diazol-5-yl]meth-oxy}quinoline monohydrate.

Shen Hong H   Bai Shu-Yuan SY   Han Xin-Yi XY   Li Xiang-Zhi XZ   Wang Hai-Bo HB  

Acta crystallographica. Section E, Structure reports online 20130420 Pt 5


In the title hydrate, C19H15N3O3·H2O, the three aromatic groups in the quinoline derivative are close to coplanar: the central oxa-diazole fragment makes dihedral angles of 15.7 (2)° with the benzene ring and 5.30 (14)° with the quinoline ring system. In the crystal, the organic mol-ecules are connected with water mol-ecules by pairs of O-H⋯N hydrogen bonds involving the quinoline and oxa-diazole N atoms. The mol-ecules form stacks along the a axis, neighboring mol-ecules within each stack being  ...[more]

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