COMPARISON OF CRYSTAL STRUCTURES OF THE TETRAMETHYLAMMONIUM AND SODIUM SALTS OF 3-NITROPHENOLATE

摘要

The addition of either sodium hydroxide or tetramethylammonium hydroxide to 3-nitrophenol led to orange-red crystals of sodium 3-nitrophenolate dihydrate or a complex of 3-nitrophenol and tetramethylammonium 3-nitrophenolate. For the sodium salt, 11707 Mo-Kα reflections were measured at 150 K via Bruker SMART 1-K CCD diffractometer. For the tetramethylammonium salt, 12664 Mo-Kα reflections were measured at 173 K via Bruker SMART 2-K CCD diffractometer. The unit cell of the sodium salt has: a = 6.814(1) [Angstrom], b = 6.5437(8) [Angstrom], c = 18.206(4) [Angstrom], β = 94.46(3)° , ..., space group = P2[the square root of]n. The unit cell of the tetramethylammonium salt has: a = 23.543(4) [Angstrom], b = 5.636(1) [Angstrom], c = 16.387(3) [Angstrom], β = 128.513(3)° , ..., space group = C2/c. The bond lengths of the 3-nitrophenolate moiety were statistically the same in the two crystal structures, showing that it is not affected by the cation. [PUBLICATION ABSTRACT]