Mesogenic Self-Assembly of Diamides. Crystal Structure of a 1,3-Diacylaminobenzene

Abstract The crystal structure of a 1,3-diacylaminobenzene, quite close to mesogenic diamide analogues, is described. The compound crystallizes in the P1 space group with two molecules per unit cell: a = 11.007 (2) A, b = 13.164(3) A, c = 8.806(3) A, α = 93.40(3)°, β = 110.44(3)° and γ= 101.03(1)°. 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.