Crystal Structures of Alkyl(triphenyl)phosphonium 2,4-Dinitrobenzenesulphonates [PH3PAlk][X], X = OSO2C6H3(NO2)2-2,4; Alk = cyclo-C3H5, (CH2)2OH, CH2OH, CH2С(O)Me

IF 0.8 4区化学 Q4 CHEMISTRY, MULTIDISCIPLINARY

Doklady Chemistry Pub Date : 2025-03-19 DOI:10.1134/S0012500825600099

V. V. Sharutin, E. S. Mekhanoshina

{"title":"Crystal Structures of Alkyl(triphenyl)phosphonium 2,4-Dinitrobenzenesulphonates [PH3PAlk][X], X = OSO2C6H3(NO2)2-2,4; Alk = cyclo-C3H5, (CH2)2OH, CH2OH, CH2С(O)Me","authors":"V. V. Sharutin, E. S. Mekhanoshina","doi":"10.1134/S0012500825600099","DOIUrl":null,"url":null,"abstract":"Reactions of alkyltriphenylphosphonium bromides with 2,4-dinitrobenzenesulfonic acid in water lead to the formation of ionic alkyltriphenylphosphonium 2,4-dinitrobenzenesulfonates [Ph3PAlk][OSO2C6H3(NO2)2-2,4] (Alk = cyclo-C3H5 (1), (CH2)2OH (2), CH2OH (3), and CH2С(O)Me (4). Crystals of 1 (C27H23N2O7PS, FW 550.50; monoclinic system, space group P-1; unit cell parameters: a = 9.354(11) Å, b = 9.764(10) Å, c = 15.416(17) Å; α = 106.29(4)°, β = 94.67(5)°, γ = 97.98)6)°, V = 1328(3) Å3, Z = 2; ρX = 1.377 g/cm3), 2 (C26H23N2O8PS, FW 554.49; monoclinic system, space group P21/c; unit cell parameters: a = 13.049(7) Å, b = 14.816(10) Å, c = 13.261(7) Å; α = 90.00°, β = 93.901(15)°, γ = 90.00°, V = 2558(2) Å3, Z = 4; ρX = 1.440 g/cm3), 3 (C25H21N2O8PS, M 540.47; triclinic system, space group P-1; unit cell parameters: a = 9.086(14) Å, b = 10.95(2) Å, c = 13.17(2) Å; α = 86.20(9)°, β = 71.93(6)°, γ = 89.51(11)°, V = 1243(4) Å3, Z = 2; ρX = 1.444 g/cm3), and 4 (C27H23N2O8PS, FW 566.50; triclinic system, space group P-1; unit cell parameters: a = 9.746(10) Å, b = 11.371(11) Å, c = 13.657(10) Å; α = 66.78(3)°, β = 86.30(3)°, γ = 74.46(5)°, V = 1339(2) Å3, Z = 2; ρX = 1.405 g/cm3). According to X-ray diffraction data, the phosphorus atoms in cations 1–4 have a distorted tetrahedral coordination, while the sulfonate anions have a normal geometry with a tetrahedral sulfur atom. The P–C bond lengths vary in the range 1.768(3)−1.830(3) Å; the CPC bond angles are within 105.54(9)°−112.42(9)°. In the arenesulfonate anions of the complexes, the S–C distances are close to each other (1.794(2)–1.807(3) Å), and the S–O bond lengths are similar (1.363(4)–1.495(4) Å). The structural organization in complexes 1–4 is mainly due to weak intermolecular contacts of the O···H type 2.31–2.71 Å (1), 2.35–2.64 Å (2), 2.38–2.70 Å (3), and 2.24–2.90 Å (4).","PeriodicalId":530,"journal":{"name":"Doklady Chemistry","volume":"517 1-2","pages":"137 - 143"},"PeriodicalIF":0.8000,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Doklady Chemistry","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1134/S0012500825600099","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}

引用次数: 0

Abstract

Reactions of alkyltriphenylphosphonium bromides with 2,4-dinitrobenzenesulfonic acid in water lead to the formation of ionic alkyltriphenylphosphonium 2,4-dinitrobenzenesulfonates [Ph₃PAlk][OSO₂C₆H₃(NO₂)₂-2,4] (Alk = cyclo-C₃H₅ (1), (CH₂)₂OH (2), CH₂OH (3), and CH₂С(O)Me (4). Crystals of 1 (C₂₇H₂₃N₂O₇PS, FW 550.50; monoclinic system, space group P-1; unit cell parameters: a = 9.354(11) Å, b = 9.764(10) Å, c = 15.416(17) Å; α = 106.29(4)°, β = 94.67(5)°, γ = 97.98)6)°, V = 1328(3) Å³, Z = 2; ρ_X = 1.377 g/cm³), 2 (C₂₆H₂₃N₂O₈PS, FW 554.49; monoclinic system, space group P2₁/c; unit cell parameters: a = 13.049(7) Å, b = 14.816(10) Å, c = 13.261(7) Å; α = 90.00°, β = 93.901(15)°, γ = 90.00°, V = 2558(2) Å³, Z = 4; ρ_X = 1.440 g/cm³), 3 (C₂₅H₂₁N₂O₈PS, M 540.47; triclinic system, space group P-1; unit cell parameters: a = 9.086(14) Å, b = 10.95(2) Å, c = 13.17(2) Å; α = 86.20(9)°, β = 71.93(6)°, γ = 89.51(11)°, V = 1243(4) Å³, Z = 2; ρ_X = 1.444 g/cm³), and 4 (C₂₇H₂₃N₂O₈PS, FW 566.50; triclinic system, space group P-1; unit cell parameters: a = 9.746(10) Å, b = 11.371(11) Å, c = 13.657(10) Å; α = 66.78(3)°, β = 86.30(3)°, γ = 74.46(5)°, V = 1339(2) Å³, Z = 2; ρ_X = 1.405 g/cm³). According to X-ray diffraction data, the phosphorus atoms in cations 1–4 have a distorted tetrahedral coordination, while the sulfonate anions have a normal geometry with a tetrahedral sulfur atom. The P–C bond lengths vary in the range 1.768(3)−1.830(3) Å; the CPC bond angles are within 105.54(9)°−112.42(9)°. In the arenesulfonate anions of the complexes, the S–C distances are close to each other (1.794(2)–1.807(3) Å), and the S–O bond lengths are similar (1.363(4)–1.495(4) Å). The structural organization in complexes 1–4 is mainly due to weak intermolecular contacts of the O···H type 2.31–2.71 Å (1), 2.35–2.64 Å (2), 2.38–2.70 Å (3), and 2.24–2.90 Å (4).

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烷基（三苯基）鏻 2,4-二硝基苯磺酸盐 [PH3PAlk][X] 的晶体结构，X = OSO2C6H3(NO2)2-2,4; Alk = 环-C3H5, (CH2)2OH, CH2OH, CH2С(O)Me

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来源期刊

Doklady Chemistry 化学-化学综合

CiteScore

1.20

自引率

12.50%

发文量

审稿时长

6-12 weeks

期刊介绍： Doklady Chemistry is a journal that publishes new research in chemistry and chemical engineering of great significance. Initially the journal was a forum of the Russian Academy of Science and published only best contributions from Russia in the form of short articles. Now the journal welcomes submissions from any country in the English or Russian language. Every manuscript must be recommended by Russian or foreign members of the Russian Academy of Sciences.