{"title":"双[μ-3-(吡啶-2-基)吡唑鎓]双[乙酸(3,5-二甲基-1H-吡唑)镍(II)","authors":"Thangamuniyandi Pilavadi , Soundararajan Krishnan , Nagarajan Loganathan","doi":"10.1107/S2414314624008101","DOIUrl":null,"url":null,"abstract":"<div><p>The title compound is a dimeric nickel(II) coordination compound containing two different substituted pyrazoles ligands, namely 3,5-dimethylpyrazole and 3-(pyridin-2-yl) pyrazole along with acetate.</p></div><div><p>The title compound, [Ni<sub>2</sub>(C<sub>8</sub>H<sub>6</sub>N<sub>3</sub>)<sub>2</sub>(C<sub>2</sub>H<sub>3</sub>O<sub>2</sub>)<sub>2</sub>(C<sub>5</sub>H<sub>8</sub>N<sub>2</sub>)<sub>2</sub>] or [Ni(<em>μ</em>-OOCCH<sub>3</sub>)(2-PyPz)(Me<sub>2</sub>PzH)]<sub>2</sub> (<strong>1</strong>) [2-PyPz = 3-(pyridin-2-yl) pyrazole; Me<sub>2</sub>PzH = 3,5-dimethyl pyrazole] was synthesized from Ni(OOCCH<sub>3</sub>)<sub>2</sub>·4H<sub>2</sub>O, 2-PyPzH, Me<sub>2</sub>PzH and triethylamine as a base. Compound <strong>1</strong> {[Ni<sub>2</sub>(C<sub>30</sub>H<sub>34</sub>N<sub>10</sub>Ni<sub>2</sub>O<sub>4</sub>)]} at 100 K has monoclinic (<em>P</em>2<sub>1</sub>/<em>n</em>) symmetry and the molecules have crystallographic inversion symmetry. Molecules of <strong>1</strong> comprise an almost planar dinuclear Ni<sup>II</sup> core with an N<sub>4</sub>O<sub>2</sub> coordination environment. The equatorial plane consists of N<sub>3</sub>,O coordination derived from one of the bidentate acetate O atoms and three of the N atoms of the chelating 2-PyPz ligand while the axial positions are occupied by neutral Me<sub>2</sub>PzH and the second O atom of the acetate unit. The Ni atoms are bridged by the nitrogen atom of a deprotonated 2-PyPz ligand. Compound <strong>1</strong> exhibits various inter- and intramolecular C—H⋯O and N—H⋯O hydrogen bonds.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (398KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></p></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 8","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Bis[μ-3-(pyridin-2-yl)pyrazolato]bis[acetato(3,5-dimethyl-1H-pyrazole)nickel(II)]\",\"authors\":\"Thangamuniyandi Pilavadi , Soundararajan Krishnan , Nagarajan Loganathan\",\"doi\":\"10.1107/S2414314624008101\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The title compound is a dimeric nickel(II) coordination compound containing two different substituted pyrazoles ligands, namely 3,5-dimethylpyrazole and 3-(pyridin-2-yl) pyrazole along with acetate.</p></div><div><p>The title compound, [Ni<sub>2</sub>(C<sub>8</sub>H<sub>6</sub>N<sub>3</sub>)<sub>2</sub>(C<sub>2</sub>H<sub>3</sub>O<sub>2</sub>)<sub>2</sub>(C<sub>5</sub>H<sub>8</sub>N<sub>2</sub>)<sub>2</sub>] or [Ni(<em>μ</em>-OOCCH<sub>3</sub>)(2-PyPz)(Me<sub>2</sub>PzH)]<sub>2</sub> (<strong>1</strong>) [2-PyPz = 3-(pyridin-2-yl) pyrazole; Me<sub>2</sub>PzH = 3,5-dimethyl pyrazole] was synthesized from Ni(OOCCH<sub>3</sub>)<sub>2</sub>·4H<sub>2</sub>O, 2-PyPzH, Me<sub>2</sub>PzH and triethylamine as a base. Compound <strong>1</strong> {[Ni<sub>2</sub>(C<sub>30</sub>H<sub>34</sub>N<sub>10</sub>Ni<sub>2</sub>O<sub>4</sub>)]} at 100 K has monoclinic (<em>P</em>2<sub>1</sub>/<em>n</em>) symmetry and the molecules have crystallographic inversion symmetry. Molecules of <strong>1</strong> comprise an almost planar dinuclear Ni<sup>II</sup> core with an N<sub>4</sub>O<sub>2</sub> coordination environment. The equatorial plane consists of N<sub>3</sub>,O coordination derived from one of the bidentate acetate O atoms and three of the N atoms of the chelating 2-PyPz ligand while the axial positions are occupied by neutral Me<sub>2</sub>PzH and the second O atom of the acetate unit. The Ni atoms are bridged by the nitrogen atom of a deprotonated 2-PyPz ligand. Compound <strong>1</strong> exhibits various inter- and intramolecular C—H⋯O and N—H⋯O hydrogen bonds.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (398KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></p></div>\",\"PeriodicalId\":94324,\"journal\":{\"name\":\"IUCrData\",\"volume\":\"9 8\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2024-08-01\",\"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/S2414314624000828\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"IUCrData","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2414314624000828","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
The title compound is a dimeric nickel(II) coordination compound containing two different substituted pyrazoles ligands, namely 3,5-dimethylpyrazole and 3-(pyridin-2-yl) pyrazole along with acetate.
The title compound, [Ni2(C8H6N3)2(C2H3O2)2(C5H8N2)2] or [Ni(μ-OOCCH3)(2-PyPz)(Me2PzH)]2 (1) [2-PyPz = 3-(pyridin-2-yl) pyrazole; Me2PzH = 3,5-dimethyl pyrazole] was synthesized from Ni(OOCCH3)2·4H2O, 2-PyPzH, Me2PzH and triethylamine as a base. Compound 1 {[Ni2(C30H34N10Ni2O4)]} at 100 K has monoclinic (P21/n) symmetry and the molecules have crystallographic inversion symmetry. Molecules of 1 comprise an almost planar dinuclear NiII core with an N4O2 coordination environment. The equatorial plane consists of N3,O coordination derived from one of the bidentate acetate O atoms and three of the N atoms of the chelating 2-PyPz ligand while the axial positions are occupied by neutral Me2PzH and the second O atom of the acetate unit. The Ni atoms are bridged by the nitrogen atom of a deprotonated 2-PyPz ligand. Compound 1 exhibits various inter- and intramolecular C—H⋯O and N—H⋯O hydrogen bonds.
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