biostudies-literatureUnknown74(Pt 3)Lastovickova DNU.S. Department of EnergyOak Ridge Institute for Science and EducationArmy Research LaboratoryThe mol-ecular structure of (2<i>E</i>)-1,4-bis-(4-chloro-phen-yl)but-2-ene-1,4-dione [C₁₆H₁₀Cl₂O₂, (<b>1</b>)] is composed of two <i>p</i>-chlorophenyl rings, each bonded on opposite ends to a near planar 1,4-<i>trans</i> enedione moiety [-C(=O)-CH=CH-(C=O)-] [r.m.s. deviation = 0.003 (1) Å]. (2<i>E</i>)-1,4-Bis(4-bromo-phen-yl)but-2-ene-1,4-dione [C₁₆H₁₀Br₂O₂, (<b>2</b>)] has a similar structure to (<b>1</b>), but with two <i>p</i>-bromophenyl rings and a less planar enedione group [r.m.s. deviation = 0.011 (1) Å]. Both mol-ecules sit on a center of inversion, thus <i>Z</i>' = 0.5. The dihedral angles between the ring and the enedione group are 16.61 (8) and 15.58 (11)° for (<b>1</b>) and (<b>2</b>), respectively. In the crystal, mol-ecules of (<b>1</b>) exhibit C-Cl⋯Cl type I inter-actions, whereas mol-ecules of (<b>2</b>) present C-Br⋯Br type II inter-actions. van der Waals-type inter-actions contribute to the packing of both mol-ecules, and the packing reveals face-to-face ring stacking with similar inter-planar distances of approximately 3.53 Å.Acta crystallographica. Section E, Crystallographic communications352-356https://www.ebi.ac.uk/biostudies/studies/S-EPMC5947802biostudies-literatureSynthesis and crystal structures of (2<i>E</i>)-1,4-bis-(4-chloro-phen-yl)but-2-ene-1,4-dione and (2<i>E</i>)-1,4-bis-(4-bromo-phen-yl)but-2-ene-1,4-dione.PMC5947802La Scala JJLastovickova DNSausa RCfalseSynthesis and crystal structures of (2<i>E</i>)-1,4-bis-(4-chloro-phen-yl)but-2-ene-1,4-dione and (2<i>E</i>)-1,4-bis-(4-bromo-phen-yl)but-2-ene-1,4-dione.The mol-ecular structure of (2<i>E</i>)-1,4-bis-(4-chloro-phen-yl)but-2-ene-1,4-dione [C₁₆H₁₀Cl₂O₂, (<b>1</b>)] is composed of two <i>p</i>-chlorophenyl rings, each bonded on opposite ends to a near planar 1,4-<i>trans</i> enedione moiety [-C(=O)-CH=CH-(C=O)-] [r.m.s. deviation = 0.003 (1) Å]. (2<i>E</i>)-1,4-Bis(4-bromo-phen-yl)but-2-ene-1,4-dione [C₁₆H₁₀Br₂O₂, (<b>2</b>)] has a similar structure to (<b>1</b>), but with two <i>p</i>-bromophenyl rings and a less planar enedione group [r.m.s. deviation = 0.011 (1) Å]. Both mol-ecules sit on a center of inversion, thus <i>Z</i>' = 0.5. The dihedral angles between the ring and the enedione group are 16.61 (8) and 15.58 (11)° for (<b>1</b>) and (<b>2</b>), respectively. In the crystal, mol-ecules of (<b>1</b>) exhibit C-Cl⋯Cl type I inter-actions, whereas mol-ecules of (<b>2</b>) present C-Br⋯Br type II inter-actions. van der Waals-type inter-actions contribute to the packing of both mol-ecules, and the packing reveals face-to-face ring stacking with similar inter-planar distances of approximately 3.53 Å.2018-01-01T00:00:00Z2018 Mar2025-04-04T07:11:13.315Z2019-03-26T23:37:48ZS-EPMC59478022976572210.1107/S205698901800230X