The novel salt of a geminal diol 4-(dihydroxymethyl)pyridinium hydrogensquarate was derived from isonicotinaldehyde and squaric acid in water. Two polymorphs were characterized by means of single crystal X-ray diffraction and linear-polarized infrared (IR-LD) spectroscopy of oriented colloids in nem
4-Phenylpyridinium hydrogensquarate
✍ Scribed by Kolev, T. ;Wortmann, R. ;Spiteller, M. ;Sheldrick, W. S. ;Heller, M.
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 228 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
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Single-crystal X-ray study T = 293 K Mean (C-C) = 0.003 A R factor = 0.043 wR factor = 0.112 Data-to-parameter ratio = 12.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
Single-crystal X-ray study T = 291 K Mean '(C±C) = 0.003 A Ê R factor = 0.040 wR factor = 0.062 Data-to-parameter ratio = 19.1 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.004 A Ê R factor = 0.065 wR factor = 0.155 Data-to-parameter ratio = 13.1 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The cation of the title compound, C 14 H 13 NCl + ÁB(C 6 H 5 ) 4 À , has a cis configuration at the C C double bond. The pyridyl ring makes a dihedral angle of 53.8 (4) with the benzene ring. Each cation is paired with another related by a twofold rotation through ainteraction and the cations also i