{"title":"trans-Dibromidotetrakis(5-methyl-1H-pyrazole-κN 2)manganese(II)","authors":"Manikumar Athan , Soundararajan Krishnan , Nagarajan Loganathan , M. Zeller (Editor)","doi":"10.1107/S2414314624002372","DOIUrl":null,"url":null,"abstract":"<div><p>The title compound was synthesized using Mn(CO)<sub>5</sub>Br. The manganese atom is situated on a crystallographic inversion center. The supramolecular architecture is characterized by several intermolecular C—H⋯N, N—H⋯Br and C—H⋯π interactions.</p></div><div><p>The title compound, <em>trans</em>-dibromidotetrakis(5-methyl-1<em>H</em>-pyrazole-κ<em>N</em> <sup>2</sup>)manganese(II), [MnBr<sub>2</sub>(C<sub>4</sub>H<sub>6</sub>N<sub>2</sub>)<sub>4</sub>] or [Mn(3-MePzH)<sub>4</sub>Br<sub>2</sub>] (<strong>1</strong>) crystallizes in the triclinic <em>P</em> <figure><img></figure> space group with the cell parameters <em>a</em> = 7.6288 (3), <em>b</em> = 8.7530 (4), <em>c</em> = 9.3794 (4) Å and α = 90.707 (4), β = 106.138 (4), γ = 114.285 (5)°, <em>V</em> = 542.62 (5) Å<sup>3</sup>, <em>T</em> = 120 K. The asymmetric unit contains only half the molecule with the manganese atom is situated on a crystallographic inversion center. The 3-MePzH ligands are present in an <em>AABB</em> type manner with two methyl groups pointing up and the other two down. The supramolecular architecture is characterized by several intermolecular C—H⋯N, N—H⋯Br, and C—H⋯π interactions. Earlier, a polymorphic structure of [Mn(3-MePzH)<sub>4</sub>Br<sub>2</sub>] (<strong>2</strong>) with a similar geometry and also an <em>AABB</em> arrangement for the pyrazole ligands was described [Reedijk <em>et al.</em> (1971<span>#</span>). <em>Inorg. Chem</em>. <strong>10</strong>, 2594–2599; <em>a</em> = 8.802 (6), <em>b</em> = 9.695 (5), <em>c</em> = 7.613 (8) Å and α = 105.12 (4), β = 114.98 (4), γ = 92.90 (3)°, <em>V</em> = 558.826 (5) Å<sup>3</sup>, <em>T</em> = 295 K]. A varying supramolecular pattern was reported, with the structure of <strong>1</strong> featuring a herringbone type pattern while that of structure <strong>2</strong> shows a pillared network type of arrangement along the <em>a</em> axis. A nickel complex [Ni(3-MePzH)<sub>4</sub>Br<sub>2</sub>] isomorphic to <strong>1</strong> and the analogous chloro derivatives of Fe<sup>II</sup>, Co<sup>II</sup> and Cu<sup>II</sup> are also known. <span><figure><span><img><ol><li><span>Download : <span>Download high-res image (274KB)</span></span></li><li><span>Download : <span>Download full-size image</span></span></li></ol></span></figure></span> </p></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 3","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"IUCrData","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2414314624000154","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
The title compound was synthesized using Mn(CO)5Br. The manganese atom is situated on a crystallographic inversion center. The supramolecular architecture is characterized by several intermolecular C—H⋯N, N—H⋯Br and C—H⋯π interactions.
The title compound, trans-dibromidotetrakis(5-methyl-1H-pyrazole-κN2)manganese(II), [MnBr2(C4H6N2)4] or [Mn(3-MePzH)4Br2] (1) crystallizes in the triclinic P space group with the cell parameters a = 7.6288 (3), b = 8.7530 (4), c = 9.3794 (4) Å and α = 90.707 (4), β = 106.138 (4), γ = 114.285 (5)°, V = 542.62 (5) Å3, T = 120 K. The asymmetric unit contains only half the molecule with the manganese atom is situated on a crystallographic inversion center. The 3-MePzH ligands are present in an AABB type manner with two methyl groups pointing up and the other two down. The supramolecular architecture is characterized by several intermolecular C—H⋯N, N—H⋯Br, and C—H⋯π interactions. Earlier, a polymorphic structure of [Mn(3-MePzH)4Br2] (2) with a similar geometry and also an AABB arrangement for the pyrazole ligands was described [Reedijk et al. (1971#). Inorg. Chem. 10, 2594–2599; a = 8.802 (6), b = 9.695 (5), c = 7.613 (8) Å and α = 105.12 (4), β = 114.98 (4), γ = 92.90 (3)°, V = 558.826 (5) Å3, T = 295 K]. A varying supramolecular pattern was reported, with the structure of 1 featuring a herringbone type pattern while that of structure 2 shows a pillared network type of arrangement along the a axis. A nickel complex [Ni(3-MePzH)4Br2] isomorphic to 1 and the analogous chloro derivatives of FeII, CoII and CuII are also known.