1-Cyclohexyl-5-(4-methoxyphenyl)-1Hpyrazole-4-carboxylic acid

Fun, Hoong-Kun and Quah, Ching Kheng and Chandrakantha , B and Isloor, Arun M and Shetty, Prakash (2011) 1-Cyclohexyl-5-(4-methoxyphenyl)-1Hpyrazole-4-carboxylic acid. Acta Crystallographica Section E, 67 (12). p. 3513. ISSN 1600-5368

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In the title compound, C17H20N2O3, the methoxyphenyl 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 R2 2(8) loops.

Item Type: Article
Additional Information: © International Union of Crystallography
Uncontrolled Keywords: single-crystal X-ray study; T = 296 K; mean (C–C) = 0.003 A° ; disorder in main residue; R factor = 0.056; wR factor = 0.159; data-to-parameter ratio = 19.2.
Subjects: Engineering > MIT Manipal > Chemistry
Engineering > MIT Manipal > Printing and Media
Depositing User: MIT Library
Date Deposited: 10 Jan 2012 09:43
Last Modified: 10 Jan 2012 09:43
URI: http://eprints.manipal.edu/id/eprint/2031

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