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<p>The title compound, [Ni(C<sub>6</sub>H<sub>8</sub>N<sub>2</sub>)<sub>2</sub>(C<sub>7</sub>H<sub>5</sub>O<sub>4</sub>)<sub>2</sub>] was obtained by dissolving of o-phenylenediamine (OPDA), nickel (II) sulfate and 2,4-dihydroxybenzoic acid (2,4-DHB) separately in 10&#xa0;mL of ethanol (96%) and reacting with 10&#xa0;mL of distilled water. The reaction mixture was stirred at room temperature and then slowly evaporated the pale green solution at 55–60&#xa0;°C. The composition and crystal structure of the [Ni(C<sub>6</sub>H<sub>8</sub>N<sub>2</sub>)<sub>2</sub>(C<sub>7</sub>H<sub>5</sub>O<sub>4</sub>)<sub>2</sub>], complex was obtained at a constant temperature (30 ± 1&#xa0;ºC) in 12&#xa0;days. The complex is formed with two neutral bidentate OPDA ligands and two monodentate DHB ligands as [Ni(C<sub>6</sub>H<sub>8</sub>N<sub>2</sub>)<sub>2</sub>(C<sub>7</sub>H<sub>5</sub>O<sub>4</sub>)<sub>2</sub>]. The Ni atom is located at the inversion center, exhibiting a slightly octahedrally distorted coordination environment, with four nitrogen atoms of two o -phenylenediamine ligands (Ni–N) positioned in the equatorial plane and two oxygen atoms of 2,4-dihydroxybenzoic acid located in the axial plane. Here, two Ni–N bonds [Ni1 —N1 = 2.110(3), Ni1 —N1 <sup>i</sup> = 2.110(3) are exhibited the same bond length but opposite Ni–N bands are different Ni2 —N2 = 2.131(2), Ni2 —N2 <sup>i</sup> = 2.131(2)] and a longer axial two Ni—O bonds [2.136(2)]. The metal is located around the inversion center and is almost coplanar with the NiN<sub>4</sub> plane. In the crystal, inter-molecular hydrogen bonding interactions are observed at N1— H1..O1 and N2 — H2…O1 in the periodic network structure. The Hirshfeld surface analysis report indicates that the most important contributions to the crystal packing are H…H (44.6%), H….C/C….H (28.7%), O…H/H….O (23.7%), O…C/C….O (2.5%), C…C (1.7%), O…O(0.8%) interactions.</p> Graphical Abstract <p>The paper is designed by crystal structures of Ni(II) complex containing [Ni(C<sub>6</sub>H<sub>8</sub>N<sub>2</sub>)<sub>2</sub>(C<sub>7</sub>H<sub>5</sub>O<sub>4</sub>)<sub>2</sub>]. In continuation of our interest in the combination forms of benzene-1,2-diamine (ortho-phenylenediamine = OPDA) and 2,4-dihydroxybenzoic acid (2,4-DHB) with first-line conversion of metals, the authors considered a detailed discussion of the structure analysis of the Ni(II) complex from the mixed ligand of OPDA and 2,4-DHB using X-ray crystallographic technique</p> <p></p>

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Synthesis, Crystal Structure and Hirshfeld Surface Analysis of Bis(Benzene-1,2-Diamie)-Bis(2,4-Dihidroxybenzoato)-Nickel, [Ni(C6H8N2)2(C7H5O4)2]

  • 期刊论文

  • 发表日期：

    2025年4月10日

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  • Abdukadir Kh. Tashkulov,
  • Khayit Kh. Turaev,
  • Jamshid M. Ashurov,
  • Ahatov Alisher Ashur o’g’li,
  • Bekmurod A. Khurramovich,
  • Aziz B. Ibragimov,
  • Changkun Xia,
  • Abul Monsur Showkot Hossain

摘要

The title compound, [Ni(C6H8N2)2(C7H5O4)2] was obtained by dissolving of o-phenylenediamine (OPDA), nickel (II) sulfate and 2,4-dihydroxybenzoic acid (2,4-DHB) separately in 10 mL of ethanol (96%) and reacting with 10 mL of distilled water. The reaction mixture was stirred at room temperature and then slowly evaporated the pale green solution at 55–60 °C. The composition and crystal structure of the [Ni(C6H8N2)2(C7H5O4)2], complex was obtained at a constant temperature (30 ± 1 ºC) in 12 days. The complex is formed with two neutral bidentate OPDA ligands and two monodentate DHB ligands as [Ni(C6H8N2)2(C7H5O4)2]. The Ni atom is located at the inversion center, exhibiting a slightly octahedrally distorted coordination environment, with four nitrogen atoms of two o -phenylenediamine ligands (Ni–N) positioned in the equatorial plane and two oxygen atoms of 2,4-dihydroxybenzoic acid located in the axial plane. Here, two Ni–N bonds [Ni1 —N1 = 2.110(3), Ni1 —N1 i = 2.110(3) are exhibited the same bond length but opposite Ni–N bands are different Ni2 —N2 = 2.131(2), Ni2 —N2 i = 2.131(2)] and a longer axial two Ni—O bonds [2.136(2)]. The metal is located around the inversion center and is almost coplanar with the NiN4 plane. In the crystal, inter-molecular hydrogen bonding interactions are observed at N1— H1..O1 and N2 — H2…O1 in the periodic network structure. The Hirshfeld surface analysis report indicates that the most important contributions to the crystal packing are H…H (44.6%), H….C/C….H (28.7%), O…H/H….O (23.7%), O…C/C….O (2.5%), C…C (1.7%), O…O(0.8%) interactions.

Graphical Abstract

The paper is designed by crystal structures of Ni(II) complex containing [Ni(C6H8N2)2(C7H5O4)2]. In continuation of our interest in the combination forms of benzene-1,2-diamine (ortho-phenylenediamine = OPDA) and 2,4-dihydroxybenzoic acid (2,4-DHB) with first-line conversion of metals, the authors considered a detailed discussion of the structure analysis of the Ni(II) complex from the mixed ligand of OPDA and 2,4-DHB using X-ray crystallographic technique