Crystal structures of a pair of diastereomeric 3-(N,N-dimethylammonium)-1,1-diphenyl-1-butanol hydrogen tartrates
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The crystal structures of a pair of diastereomeric salts of (2R, 3R)-(+)-tartaric acid and (-)- and (+)-3-N,N-dimethylamino-1,1-diphenyl-1-butanol have been determined. Crystal data: 1: (R)-(-)-C18H24NO+, (2R, 3R)-(+)-C4H5O-6, C2, a = 38.198(7), b = 5.841(2), c = 9.993(2)Å, P = 102.63(1)°, V = 2175.6(1) Å3, Z = 4, Dcalc = 1.281 g cm-3. 2: (S)-(+)-C18H24NO+, (2R, 3R)-(+)-C4H5O-6, P212121, a = 6.037(2), b = 8.5947(8), c = 39.74(1)Å, V = 2062.0(9) Å3, Z = 4, Dcalc = 1.351 g cm-3. The conformations of the 3-(N,N-dimethylammonium)-1,1-diphenyl-1-butanol cations in the two salts are almost mirror images of each other, but the cation in 2 has an intramolecular hydrogen bond. The hydrogen tartrate ions adopt an extended conformation. The hydrogen bonding networks in the two salts are very different. The absolute configuration of (-)-3-(N,N-dimethylamino)-1,1-diphenyl-1-butanol (1) was established as R.
Original language | English |
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Journal | Journal of Chemical Crystallography |
Volume | 28 |
Issue number | 2 |
Pages (from-to) | 125-132 |
Number of pages | 8 |
ISSN | 1074-1542 |
DOIs | |
Publication status | Published - Feb 1998 |
- Diastereomeric salts, Hydrogen tartrates; hydrogen bond patterns
Research areas
ID: 382747190