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4-Meth-oxy-N-(pyridin-4-ylmeth-yl)-3-(tri-fluoro-meth-yl)benzamide monohydrate.

ABSTRACT: In the title compound, C15H13F3N2O2·H2O, the dihedral angle between the benzene and pyridine rings is 74.97?(1)°. The -CF3 group attached to the benzene ring is syn to the C=O bond in the adjacent side chain. In the crystal, mol-ecules are linked to one another through the water mol-ecules by strong N-H?O, O-H?O and O-H?N hydrogen bonds, forming a ladder-type network. The benzamide mol-ecules are also linked to one another through C-H?F inter-actions, forming C(6) chains parallel to the b-axis direction. Aromatic ?-? stacking inter-actions [centroid-centroid separations = 3.7150?(1) and 3.7857?(1)?Å] between adjacent pairs of pyridine and benzene rings are also observed, resulting in a three-dimensional architecture are also observed.

SUBMITTER: Sreenivasa S

PROVIDER: S-EPMC3884365 | biostudies-literature | 2013 Oct

REPOSITORIES: biostudies-literature

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4-Meth-oxy-N-(pyridin-4-ylmeth-yl)-3-(tri-fluoro-meth-yl)benzamide monohydrate.

Sreenivasa S S Mohan N R NR Kumar Vijith V Palakshamurthy B S BS Arunakumar D B DB Suchetan P A PA

Acta crystallographica. Section E, Structure reports online 20131031 Pt 11

In the title compound, C15H13F3N2O2·H2O, the dihedral angle between the benzene and pyridine rings is 74.97 (1)°. The -CF3 group attached to the benzene ring is syn to the C=O bond in the adjacent side chain. In the crystal, mol-ecules are linked to one another through the water mol-ecules by strong N-H⋯O, O-H⋯O and O-H⋯N hydrogen bonds, forming a ladder-type network. The benzamide mol-ecules are also linked to one another through C-H⋯F inter-actions, forming C(6) chains parallel to the b-axis d ...[more]

PMID: 24454141

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