| Abstrakt: |
The molecular structure of (2E)-1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione [C16H10Cl2O2, (1)] is composed of two p-chlorophenyl rings, each bonded on opposite ends to a near planar 1,4-trans enedione moiety [-C(O)-- CH=CH--(C=O)-] [r.m.s. deviation = 0.003 (1) Å]. (2E)-1,4-Bis(4-bromophenyl)but-2-ene-1,4-dione [C16H10Br2O2, (2)] has a similar structure to (1), but with two p-bromophenyl rings and a less planar enedione group [r.m.s. deviation = 0.011 (1) Å]. Both molecules sit on a center of inversion, thus Z' = 0.5. The dihedral angles between the ring and the enedione group are 16.61 (8) and 15.58 (11) for (1) and (2), respectively. In the crystal, molecules of (1) exhibit C--Cl...Cl type I interactions, whereas molecules of (2) present C-- BrBr type II interactions. van der Waals-type interactions contribute to the packing of both molecules, and the packing reveals face-to-face ring stacking with similar interplanar distances of approximately 3.53 Å. [ABSTRACT FROM AUTHOR] |
