Crystal and molecular structure of the lithium p-nitrosophenolate dihydrate dimer: an example of a strong dependence of the π-electron cooperative substituent effect on the hydrogen-bonding network in the crystal lattice
Abstract
The crystal and molecular structure of lithium p-nitrosophenolate dihydrate dimer (LNP) is solved by X-ray diffraction with relatively high precision (the mean esd for the bond lengths is 0.002-0.003 Å; wR = 0.0433). NMR studies and ab initio (6-31G) calculations indicate that the free anions have primarily a quinoid structure, whose contribution to the crystal lattice strongly depends on hydrogen bonding. Comparison of the reported structure with sodium tri- and magnesium hexahydrate p-nitrosophenolate perchlorates indicates that LiO interactions somewhat resemble the hydrogen bond.
- Publication:
-
Journal of Molecular Structure
- Pub Date:
- August 1994
- DOI:
- 10.1016/0022-2860(94)08313-4
- Bibcode:
- 1994JMoSt.324..251M