Showing papers by "Mercedes Camalli published in 1997"
TL;DR: In this paper, the crystal structure of the cyanomercury hydridotris (1H-3,5-dimethyl pyrazol-1-yl)borate has been resolved (space group Pī with a = 7.863(3), b = 11.157(5), c = 13.117(5)A; α = 89.32(3).
5 citations
TL;DR: In this article, the crystal structure of the trihydrate 1/1 salt between (R)-carnitine amide and (1R, 3S)-camphoric acid, C 7 H 17 N 2 O 2 + -C 10 H 15 O 4 -.3H 2 O, is characterized by alternating layers of campHoric acid and carnitine amino acid molecules, both connected by a network of hydrogen bonds involving water molecules.
Abstract: The crystal structure of the trihydrate 1/1 salt between (R)-carnitine amide and (1R,3S)-camphoric acid, (R)-3-hydroxy-4-(trimethylammonio)butanamide (1R,3S-1-carboxy-1,2,2-trimethyl-3-cyclopentanecarboxylate trihydrate, C 7 H 17 N 2 O 2 + -C 10 H 15 O 4 - .3H 2 O, is characterized by alternating layers of camphoric acid and carnitine amide molecules, both connected by a network of hydrogen bonds involving water molecules. Molecular-mechanics calculations using periodic boundary conditions, with two different force fields (CVFF and AMBER) and a dielectric constant ranging between 1 and 10, indicate that such commercial packages are not fully suitable when different kinds of forces are involved.