{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["80(Pt 8)"],"submitter":["Weeks NJ"],"pubmed_abstract":["The aryl diester compound, 2-methyl-1,4-phenyl-ene bis-(3,5-di-bromo-benzoate), C<sub>21</sub>H<sub>12</sub>Br<sub>4</sub>O<sub>4</sub>, was synthesized by esterification of methyl hydro-quinone with 3,5-di-bromo-benzoic acid. A crystalline sample was obtained by cooling a sample of the melt (m.p. = 502 K/DSC) to room temperature. The mol-ecular structure consists of a central benzene ring with <i>anti</i>-3,5-di-bromo-benzoate groups symmetrically attached at the 1 and 4 positions and a methyl group attached at the 2 position of the central ring. In the crystal structure (space group <i>P</i>), mol-ecules of the title aryl diester are located on inversion centers imposing disorder of the methyl group and H atom across the central benzene ring. The crystal structure is consolidated by a ne"],"journal":["Acta crystallographica. Section E, Crystallographic communications"],"pagination":["863-866"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC11299744"],"repository":["biostudies-literature"],"pubmed_title":["Crystal and mol-ecular structure of 2-methyl-1,4-phenyl-ene bis-(3,5-di-bromo-benzoate)."],"pmcid":["PMC11299744"],"pubmed_authors":["Weeks NJ","Lauer MK","Balaich GJ","Iacono ST"],"additional_accession":[]},"is_claimable":false,"name":"Crystal and mol-ecular structure of 2-methyl-1,4-phenyl-ene bis-(3,5-di-bromo-benzoate).","description":"The aryl diester compound, 2-methyl-1,4-phenyl-ene bis-(3,5-di-bromo-benzoate), C<sub>21</sub>H<sub>12</sub>Br<sub>4</sub>O<sub>4</sub>, was synthesized by esterification of methyl hydro-quinone with 3,5-di-bromo-benzoic acid. A crystalline sample was obtained by cooling a sample of the melt (m.p. = 502 K/DSC) to room temperature. The mol-ecular structure consists of a central benzene ring with <i>anti</i>-3,5-di-bromo-benzoate groups symmetrically attached at the 1 and 4 positions and a methyl group attached at the 2 position of the central ring. In the crystal structure (space group <i>P</i>), mol-ecules of the title aryl diester are located on inversion centers imposing disorder of the methyl group and H atom across the central benzene ring. The crystal structure is consolidated by a ne","dates":{"release":"2024-01-01T00:00:00Z","publication":"2024 Aug","modification":"2025-06-01T02:33:18.062Z","creation":"2025-06-01T02:33:18.062Z"},"accession":"S-EPMC11299744","cross_references":{"pubmed":["39108781"],"doi":["10.1107/S2056989024006820"]}}