Leonardo E. Cruz-Estrada, Simón Hernández-Ortega, Jesús Valdés-Martínez
{"title":"Hydrolysis of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine with Pd(II) and Pt(II) Complexes","authors":"Leonardo E. Cruz-Estrada, Simón Hernández-Ortega, Jesús Valdés-Martínez","doi":"10.1007/s10870-022-00948-y","DOIUrl":null,"url":null,"abstract":"<div><p>In this paper, we report the crystal and molecular structure of two compounds obtained from the reactions between the ligand 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TpymT) with Pd(II) and Pt(II) [M(Cl<sub>2</sub>(CH<sub>3</sub>CN)<sub>2</sub>] complexes. The ligand hydrolyses into the anion N-[(pyrimidine)carbonyl]pyrimidine-2-carboxamidato (bpcam<sup>−</sup>), giving compounds with the formula [Pd(bpcam)Cl]·H<sub>2</sub>O, <b>1</b>, and [Pt(bpcam)Cl]·DMSO, <b>2</b>. Compounds <b>1</b> and <b>2</b> crystallize in the monoclinic crystal system with C2/c and P2<sub>1</sub>/n space groups. The compounds are square planar, with the bpcam<sup>−</sup> acting as a tridentate-κ<sup>3</sup>N anionic ligand and the Cl<sup>−</sup> anion in the fourth position. In both complexes, the molecules stack in columns presenting interactions between the aromatic rings, reinforced in <b>2</b> by Pt···Pt interactions. The complexes interact with the solvent molecules through H-bonds building a 3D structure. We analyzed the systems through geometric parameters and Hirshfeld surface studies. The energy frameworks indicate that the main interactions between molecules in the crystal are dispersion forces.</p><h3>Graphical Abstract</h3><p>The paper presents the X-ray structures of [M(bpcam)Cl]·where bdcam- is the anion N-[(pyrimidine)carbonyl]pyrimidine-2-carboxamidato and M = Pd(II) and Pt(II), as well as Hirshfeld Surface and Energy Framework studies.</p>\n <figure><div><div><div><picture><source><img></source></picture></div></div></div></figure>\n </div>","PeriodicalId":615,"journal":{"name":"Journal of Chemical Crystallography","volume":"53 1","pages":"127 - 137"},"PeriodicalIF":0.4000,"publicationDate":"2022-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical Crystallography","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s10870-022-00948-y","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
引用次数: 0
Abstract
In this paper, we report the crystal and molecular structure of two compounds obtained from the reactions between the ligand 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TpymT) with Pd(II) and Pt(II) [M(Cl2(CH3CN)2] complexes. The ligand hydrolyses into the anion N-[(pyrimidine)carbonyl]pyrimidine-2-carboxamidato (bpcam−), giving compounds with the formula [Pd(bpcam)Cl]·H2O, 1, and [Pt(bpcam)Cl]·DMSO, 2. Compounds 1 and 2 crystallize in the monoclinic crystal system with C2/c and P21/n space groups. The compounds are square planar, with the bpcam− acting as a tridentate-κ3N anionic ligand and the Cl− anion in the fourth position. In both complexes, the molecules stack in columns presenting interactions between the aromatic rings, reinforced in 2 by Pt···Pt interactions. The complexes interact with the solvent molecules through H-bonds building a 3D structure. We analyzed the systems through geometric parameters and Hirshfeld surface studies. The energy frameworks indicate that the main interactions between molecules in the crystal are dispersion forces.
Graphical Abstract
The paper presents the X-ray structures of [M(bpcam)Cl]·where bdcam- is the anion N-[(pyrimidine)carbonyl]pyrimidine-2-carboxamidato and M = Pd(II) and Pt(II), as well as Hirshfeld Surface and Energy Framework studies.
期刊介绍:
Journal of Chemical Crystallography is an international and interdisciplinary publication dedicated to the rapid dissemination of research results in the general areas of crystallography and spectroscopy. Timely research reports detail topics in crystal chemistry and physics and their relation to problems of molecular structure; structural studies of solids, liquids, gases, and solutions involving spectroscopic, spectrometric, X-ray, and electron and neutron diffraction; and theoretical studies.