Abstract

The reaction of methyl anthranilate with 2-methylphenyl-iso-selenocyanate in boiling absolute ethanol affords a new compound: 3-(2-methylphenyl)-2-selenoxo-2,3-dihydroquinazolin-4(1Н)-one (HL). Free ligand HL, which is selone, is preliminarily transformed into the corresponding sodium selenolate [C₁₅H₁₁N₂OSeNa] (I), which is then used without isolation in the reaction with cadmium chloride. This reaction leads to the formation of complex [Cd₂(μ-L)₂(L)₂(C₂H₅OH)₂] (II). The structures of the compounds are determined by X-ray diffraction (XRD) (CIF files CCDC nos. 2142342 (НL) and 2246014 (II)) and NMR spectroscopy (¹Н, ¹³С, ¹⁵N, and ⁷⁷Se). In the crystal, the molecules of HL form one-dimensional chains due to H…O and H…Se contacts and alternate in the syndiotactic order. Compound II is the centrosymmetric binuclear complex [C₆₄H₅₆Cd₂N₈O₆Se₄]. The cadmium atoms in complex II are hexacoordinated by two chelate anionic ligands L^–. According to the NMR data, in a DMSO-d₆ solution free ligand HL has the selone structure, whereas in cadmium complex II this ligand exists in the selenolate form, which is consistent with the XRD data on the crystal structures of the compounds.

中文翻译：

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3-(2-甲基苯基)-2-硒代-2,3-二氢喹唑啉-4(1H)-酮及其与Cd(II)的配合物：合成以及分子和晶体结构

摘要

邻氨基苯甲酸甲酯与 2-甲基苯基-异-硒氰酸酯在沸腾的无水乙醇中反应，得到新化合物：3-(2-甲基苯基)-2-硒代-2,3-二氢喹唑啉-4(1Н)-酮 (HL)。游离配体HL为selone，初步转化为相应的硒酸钠[C₁₅H₁₁HH₈该配体以硒酸盐形式存在，这与化合物晶体结构的XRD数据一致。II溶液中游离配体HL具有selone结构，而在镉配合物₆。根据NMR数据，在DMSO-d^–中的镉原子由两个螯合阴离子配体LII]。配合物₄Se₆ON₂Cd₅₆₆₄是中心对称双核配合物[CIISe）。在晶体中，HL分子由于H…O和H…Se接触而形成一维链，并以间规顺序交替。化合物⁷⁷N 和 II< /span>С, ¹³Н, ¹)）核磁共振波谱 (II）。化合物的结构通过 X 射线衍射 (XRD) 确定（CIF 文件 CCDC 编号 2142342 (НL) 和 2246014 (] (₂OH)₅₂(C₂(L)₂(μ-L)₂ ，然后无需分离即可用于与氯化镉的反应。该反应导致形成络合物 [CdI)OSeNa] (₂N