Ran Yan , Zhaohua Dai , Daniel G. Shlian , Trinit’y D. Mitchell , Aaron Loo , Kaltrina Mulosmani , Rita K. Upmacis
{"title":"Molecular structure of tris[(6-bromopyridin-2-yl)methyl]amine","authors":"Ran Yan , Zhaohua Dai , Daniel G. Shlian , Trinit’y D. Mitchell , Aaron Loo , Kaltrina Mulosmani , Rita K. Upmacis","doi":"10.1107/S2056989024008685","DOIUrl":null,"url":null,"abstract":"<div><div>Crystals of tris[(6-bromopyridin-2-yl)methyl]amine (TPABr<sub>3</sub>) were obtained from a solution in acetonitrile upon evaporation. The crystals are triclinic with space group <em>P</em><blockquote><div><figure><img></figure></div></blockquote>.</div></div><div><div>Coordination compounds of polydentate nitrogen ligands with metals are used extensively in research areas such as catalysis, and as models of complex active sites of enzymes in bioinorganic chemistry. Tris(2-pyridylmethyl)amine (TPA) is a tripodal tetradentate ligand that is known to form coordination compounds with metals, including copper, iron and zinc. The related compound, tris[(6-bromopyridin-2-yl)methyl]amine (TPABr<sub>3</sub>), C<sub>18</sub>H<sub>15</sub>Br<sub>3</sub>N<sub>4</sub>, which possesses a bromine atom on the 6-position of each of the three pyridyl moieties, is also known but has not been heavily investigated. The molecular structure of TPABr<sub>3</sub> as determined by X-ray diffraction is reported here. The TPABr<sub>3</sub> molecule belongs to the triclinic, <em>P</em><blockquote><div><figure><img></figure></div></blockquote> space group and displays interesting intermolecular Br⋯Br interactions that provide a stabilizing influence within the molecule.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 10","pages":"Pages 1006-1009"},"PeriodicalIF":0.5000,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11451500/pdf/","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E: Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S205698902400210X","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
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Abstract
Crystals of tris[(6-bromopyridin-2-yl)methyl]amine (TPABr3) were obtained from a solution in acetonitrile upon evaporation. The crystals are triclinic with space group P
.
Coordination compounds of polydentate nitrogen ligands with metals are used extensively in research areas such as catalysis, and as models of complex active sites of enzymes in bioinorganic chemistry. Tris(2-pyridylmethyl)amine (TPA) is a tripodal tetradentate ligand that is known to form coordination compounds with metals, including copper, iron and zinc. The related compound, tris[(6-bromopyridin-2-yl)methyl]amine (TPABr3), C18H15Br3N4, which possesses a bromine atom on the 6-position of each of the three pyridyl moieties, is also known but has not been heavily investigated. The molecular structure of TPABr3 as determined by X-ray diffraction is reported here. The TPABr3 molecule belongs to the triclinic, P
space group and displays interesting intermolecular Br⋯Br interactions that provide a stabilizing influence within the molecule.
期刊介绍：
Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.
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