1-Cyclohexyl-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxy-lic acid
No Thumbnail Available
Date
2011
Journal Title
Journal ISSN
Volume Title
Publisher
Abstract
In the title compound, C<inf>17</inf>H<inf>20</inf>N<inf>2</inf>O <inf>3</inf>, the meth-oxy-phenyl unit is disordered over two sets of sites in a 0.715 (4):0.285 (4) ratio. The pyrazole ring forms dihedral angles of 55.88 (16) and 72.6 (4)°with the benzene rings of its major and minor components, respectively. The cyclohexane ring adopts a chair conformation and its C-N bond is in an equatorial orientation. In the crystal, molecules are linked into inversion dimers by pairs of O-H?O hydrogen bonds, generating R <inf>2</inf> 2(8) loops..
Description
Keywords
data-to-parameter ratio = 19.2, disorder in main residue, mean ?(C-C) = 0.003 Å, R factor = 0.056, single-crystal X-ray study, T = 296 K, wR factor = 0.159
Citation
Acta Crystallographica Section E: Structure Reports Online, 2011, 67, 12, pp. o3513-