反式二溴四(5-甲基-1H-吡唑-κN 2)锰(II)

IUCrData Pub Date : 2024-03-01 DOI:10.1107/S2414314624002372
Manikumar Athan , Soundararajan Krishnan , Nagarajan Loganathan , M. Zeller (Editor)
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引用次数: 0

摘要

标题化合物,反式二溴四(5-甲基-1H-吡唑-κN 2)锰(II),[MnBr2(C4H6N2)4]或[Mn(3-MePzH)4Br2](1)在三菱 P\overline{1} 空间群中结晶,晶胞参数 a = 7.6288 (3),b = 8.7530 (4),c = 9.3794 (4)埃,α = 90.707 (4),β = 106.138 (4),γ = 114.285 (5)°,V = 542.62 (5)埃3,T = 120 K。不对称单元只包含一半分子,锰原子位于晶体学反转中心。3-MePzH 配体以 AABB 型方式存在,其中两个甲基朝上,另外两个朝下。这种超分子结构的特点是分子间存在多种 C-H...N、N-H...Br 和 C-H...π 相互作用。早些时候,有人描述了[Mn(3-MePzH)4Br2] (2) 的多态结构,其几何形状相似,吡唑配体也呈 AABB 排列[Reedijk 等人 (1971).Inorg.Chem.10, 2594-2599; a = 8.802 (6), b = 9.695 (5), c = 7.613 (8) Å and α = 105.12 (4), β = 114.98 (4), γ = 92.90 (3)°, V = 558.826 (5) Å3, T = 295 K]。报告中的超分子结构形态各异,结构 1 呈人字形排列,而结构 2 则沿 a 轴呈柱状网络排列。与结构 1 同构的镍配合物 [Ni(3-MePzH)4Br2] 以及 FeII、CoII 和 CuII 的类似氯衍生物也已为人所知。
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trans-Di­bromido­tetra­kis­(5-methyl-1H-pyrazole-κN 2)manganese(II)

The title compound was synthesized using Mn(CO)5Br. The manganese atom is situated on a crystallographic inversion center. The supra­molecular architecture is characterized by several inter­molecular C—H⋯N, N—H⋯Br and C—H⋯π inter­actions.

The title compound, trans-di­bromido­tetra­kis­(5-methyl-1H-pyrazole-κN 2)manganese(II), [MnBr2(C4H6N2)4] or [Mn(3-MePzH)4Br2] (1) crystallizes in the triclinic P

space group with the cell parameters a = 7.6288 (3), b = 8.7530 (4), c = 9.3794 (4) Å and α = 90.707 (4), β = 106.138 (4), γ = 114.285 (5)°, V = 542.62 (5) Å3, T = 120 K. The asymmetric unit contains only half the mol­ecule with the manganese atom is situated on a crystallographic inversion center. The 3-MePzH ligands are present in an AABB type manner with two methyl groups pointing up and the other two down. The supra­molecular architecture is characterized by several inter­molecular C—H⋯N, N—H⋯Br, and C—H⋯π inter­actions. Earlier, a polymorphic structure of [Mn(3-MePzH)4Br2] (2) with a similar geometry and also an AABB arrangement for the pyrazole ligands was described [Reedijk et al. (1971#). Inorg. Chem. 10, 2594–2599; a = 8.802 (6), b = 9.695 (5), c = 7.613 (8) Å and α = 105.12 (4), β = 114.98 (4), γ = 92.90 (3)°, V = 558.826 (5) Å3, T = 295 K]. A varying supra­molecular pattern was reported, with the structure of 1 featuring a herringbone type pattern while that of structure 2 shows a pillared network type of arrangement along the a axis. A nickel complex [Ni(3-MePzH)4Br2] isomorphic to 1 and the analogous chloro derivatives of FeII, CoII and CuII are also known.
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3-(2-Hy-droxy-eth-yl)-1-(4-nitro-phen-yl)-1H-imidazol-3-ium bromide. 4'-(2-Meth-oxy-phen-yl)-2,2':6',2''-terpyridine. 3,5,6-Tri-chloro-pyridin-2-ol. 4-Amino-3,5-di-chloro-pyridine. Bis(azido-κN 1)bis-(2,2'-di-pyridyl-amine-κ2 N 1,N 1')iron(II) monohydrate.
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