화학공학소재연구정보센터
Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, Vol.362, 101-110, 2001
Mesogenic self-assembly of diamides. Crystal structure of a 1,3-diacylaminobenzene
The crystal structure of a 1,3-diacylaminobenzene, quite close to mesogenic diamide analogues, is described. The compound crystallizes in the (P) over bar1 space group with two molecules per unit cell: a = 11.007(2) Angstrom, b = 13.164(3) Angstrom, c = 8.806(3) Angstrom, alpha = 93.40(3)degrees, beta = 110.44(3)degrees and gamma = 101.03(1)degrees. The final reliability R and wR factors were respectively equal to 0.065 and 0.078. The two antiparallel polar amide groups of each molecule are partly responsible, beside several weak van der Waals forces, of the crystal cohesion: the molecules are arranged in infinite parallel strands in which each amide group is connected to its two neighbors by four hydrogen bonds between CO and NH, as assumed in mesophases.