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3-Meth-oxy-2-[2-({[6-(trifluoro-meth-yl)pyridin-2-yl]-oxy}meth-yl)phen-yl]prop-2-enoic acid.

ABSTRACT: The title mol-ecule, C(17)H(14)F(3)NO(4), consists of two nearly planar fragments, viz. the 2-benzyl-oxypyridine (r.m.s. deviation 0.016?Å) and (E)-3-meth-oxy-prop2-enoic (r.m.s. deviation 0.004?Å) units, which form a dihedral angle of 84.19?(7)°. In the crystal, pairs of O-H?O hydrogen bonds link mol-ecules into dimers that are further connected by C-H?O and C-H?F inter-actions into (001) layers. In addition, ?-? stacking inter-actions are observed within a layer between the pyridine and benzene rings [centroid-centroid distance = 3.768?(2)?Å]. The F atoms of the trifluoro-methyl group are disordered over two sets of sites in a 0.53?(4):0.47?(4) ratio.

SUBMITTER: Kant R 

PROVIDER: S-EPMC3515258 | biostudies-literature | 2012 Nov

REPOSITORIES: biostudies-literature

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3-Meth-oxy-2-[2-({[6-(trifluoro-meth-yl)pyridin-2-yl]-oxy}meth-yl)phen-yl]prop-2-enoic acid.

Kant Rajni R   Gupta Vivek K VK   Kapoor Kamini K   Shripanavar Chetan S CS   Deshmukh Madhukar B MB   Banerjee Kaushik K  

Acta crystallographica. Section E, Structure reports online 20121020 Pt 11

The title mol-ecule, C(17)H(14)F(3)NO(4), consists of two nearly planar fragments, viz. the 2-benzyl-oxypyridine (r.m.s. deviation 0.016 Å) and (E)-3-meth-oxy-prop2-enoic (r.m.s. deviation 0.004 Å) units, which form a dihedral angle of 84.19 (7)°. In the crystal, pairs of O-H⋯O hydrogen bonds link mol-ecules into dimers that are further connected by C-H⋯O and C-H⋯F inter-actions into (001) layers. In addition, π-π stacking inter-actions are observed within a layer between the pyridine and benzen  ...[more]

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