Synthesis and structure of trans-bis(4-amino-3-nitrobenzoato-κO)bis(4-amino-3-nitrobenzoic acid-κO)diaquamanganese(II) dihydrate

IUCrData Pub Date : 2024-01-01 DOI:10.1107/S2414314624000403

Feruza S. Narmanova , Khayit Kh. Turaev , Aziz B. Ibragimov , Jamshid M. Ashurov , R. J. Butcher (Editor)

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Abstract

The reaction of 4-amino 3-nitrobenzoic acid and manganese dichloride tetrahydrate in an ethanol–water mixture yielded the title complex[Mn(C₇H₅N₂O₄)₂(C₇H₆N₂O₄)₂(H₂O)₂]·2H₂O. In the crystal, molecules are linked by N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds.

The manganese title complex, [Mn(C₇H₅N₂O₄)₂(C₇H₆N₂O₄)₂(H₂O)₂]·2H₂O, is one of the first 4-amino 3-nitrobenzoic acid (4 A3NBA) monoligand metal complexes to be synthesized. It crystallizes in the centrosymmetric monoclinic space group P2₁/n with the complex molecules located on inversion centers. Four 4 A3NBA ligand molecules are monodentately coordinated by the Mn²⁺ ion through the carboxylic oxygen atoms while the other two positions of the inner coordination sphere are occupied by water molecules, giving rise to a distorted octahedron, and two water molecules are in the outer coordination sphere. There are two intramolecular hydrogen bonds in the complex molecule. The first is of the common N—H⋯O=N type, while the second is a rarely occurring very strong hydrogen bond in which a common proton is shared by two uncoordinated oxygen atoms of neighboring carboxylate groups. In the crystal, an intricate system of intermolecular hydrogen bonds links the complex molecules into a three-dimensional-network.

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反式双(4-氨基-3-硝基苯甲酸-κO)双(4-氨基-3-硝基苯甲酸-κO)二水合锰(II)的合成及其结构

锰标题配合物[Mn(C7H5N2O4)2(C7H6N2O4)2(H2O)2]-2H2O 是最早合成的 4-氨基 3-硝基苯甲酸（4 A3NBA）单配体金属配合物之一。它在中心对称单斜空间群 P21/n 中结晶，配合物分子位于反转中心。4 个 A3NBA 配体分子通过羧基氧原子与 Mn2+ 离子单成配位，而内配位层的另外两个位置则被水分子占据，形成一个扭曲的八面体，另外两个水分子位于外配位层。复合物分子中有两个分子内氢键。第一个是常见的 N-H...O=N，第二个是很少出现的非常强的氢键，其中相邻羧酸基团的两个非配位氧原子共用一个质子。在晶体中，错综复杂的分子间氢键系统将复杂的分子连接成一个三维网络。

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