(NH2)2CSSC(NH2)2]2[RuBr6]Br2-3H2O的合成、分子和晶体结构。

IF 0.5 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2024-08-01 DOI:10.1107/S2056989024006832

Olga V. Rudnitskaya , Milena R. Komarovskikh , Maria G. Pekarskaya , Daniil S. Pshenichnyy , Mehmet Akkurt , Ali N. Khalilov , Ajaya Bhattarai , Ibrahim G. Mamedov

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引用次数: 0

摘要

标题化合物，双-[二-硫代-双-（甲脒）]六溴-二溴化钌三水合物，[(NH2)2CSSC(NH2)2]2[RuBr6]Br2-3H2O，在正虹双晶系中结晶，空间群 Cmcm，Z = 4。RuBr6]2- 阴离子配合物具有八面体结构。Ru-Br 的距离范围为 2.4779 (4)-2.4890 (4) Å。S-S 和 C-S 距离分别为 2.0282 (12) Å 和 1.783 (2) Å。阳离子的 H2O 分子、Br 离子和 NH2 基团通过氢键相连。分子内的 O-H⋯Br、O-H⋯O、N-H⋯Br 和 N-H⋯O 氢键巩固了阳离子的构象。(NH2)2CSSC(NH2)2]2+阳离子形成一个氢键系统，涉及 Br - 离子和水分子。两个 Br - 阴离子分别与两个阳离子的 NH2 基团形成四个氢键，从而将阳离子连接成一个环。这些环由水分子连接，形成 N-H⋯O-H⋯Br 氢键。

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Synthesis, molecular and crystal structure of [(NH2)2CSSC(NH2)2]2[RuBr6]Br2·3H2O

The [RuBr₆]²⁻ anionic complex has an octahedral structure. The Ru—Br distances fall in the range 2.4779 (4)–2.4890 (4) Å. The S—S and C—S distances are 2.0282 (12) and 1.783 (2) Å, respectively. The H₂O molecules, Br⁻ ions, and NH₂ groups of the cation are linked by hydrogen bonds.

The title compound, bis[dithiobis(formamidinium)] hexabromidoruthenium dibromide trihydrate, [(NH₂)₂CSSC(NH₂)₂]₂[RuBr₆]Br₂·3H₂O, crystallizes in the orthorhombic system, space group Cmcm, Z = 4. The [RuBr₆]²⁻ anionic complex has an octahedral structure. The Ru—Br distances fall in the range 2.4779 (4)–2.4890 (4) Å. The S—S and C—S distances are 2.0282 (12) and 1.783 (2) Å, respectively. The H₂O molecules, Br⁻ ions, and NH₂ groups of the cation are linked by hydrogen bonds. The conformation of the cation is consolidated by intramolecular O—H⋯Br, O—H⋯O, N—H⋯Br and N—H⋯O hydrogen bonds. The [(NH₂)₂CSSC(NH₂)₂]²⁺ cations form a hydrogen-bonded system involving the Br ⁻ ions and the water molecules. Two Br ⁻ anions form four hydrogen bonds, each with the NH₂ groups of two cations, thus linking the cations into a ring. The rings are connected by water molecules, forming N—H⋯O—H⋯Br hydrogen bonds.

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来源期刊

Acta Crystallographica Section E: Crystallographic Communications Chemistry-Chemistry (all)

CiteScore

1.90

自引率

0.00%

发文量

351

审稿时长

3 weeks

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.