Bis(azido-κN1)bis(2,2′-dipyridylamine-κ2N1,N1′)iron(II) monohydrate

IUCrData Pub Date : 2024-11-01 DOI:10.1107/S2414314624011167

Fatima Setifi , Zouaoui Setifi , Hans Reuter , Mohammad Hadi Al-Douh , Abderezak Addala

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Abstract

Distortions of the octahedral {N₆}-coordination of the Fe^II ion in the title complex Fe(dpa)₂(N₃)₂ are described in terms of bond-length and angle variations alongside to the different kind of intermolecular hydrogen bonds between the azide ions and the dpa ligands of the complex and the water molecule of crystallization.

In the hydrated title complex, [Fe(dpa)₂(N₃)₂]·H₂O (dpa is 2,2′-dipyridylamine, C₁₀H₉N₃), the Fe^II ion is coordinated in a distorted octahedral manner by two neutral, chelating dpa ligands and two anionic, monodentate azide (N₃⁻) ions in a cis-configuration. Distortion results from different Fe—N bond lengths [2.1397 (13)–2.2254 (12) Å] and (N—Fe—N)_cis [80.12 (4)–96.72 (5)°] and (N—Fe—N)_trans [166.73 (4)–176.62 (5)°] bond angles. Hydrogen bonds exist between two symmetry-related water molecules as hydrogen donors to the γ-N atoms of azido ligands of two adjacent iron complexes and as acceptors from the amide group of the dpa ligands of two additional iron complexes. The hydrogen-bonding pattern results in eight-membered ⋯H—O—H⋯N⋯ rings and a band-like arrangement of the molecules involved. Additional, weaker hydrogen bonds between the α-N atom of the second azido ligand as acceptors and the amide groups of the second dpa ligands as donors cross-link neighboring bands to layers extending parallel to (001).

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二（叠氮-κN 1）二-（2,2'-二吡啶胺-κ2 N 1，N 1'）铁（II）一水化合物。

在水合标题配合物[Fe(dpa)2(N3)2]·H2O （dpa为2,2'-二吡啶胺，C10H9N3）中，FeII离子由两个中性螯合dpa配体和两个阴离子单齿叠氮化（N3 -）离子顺式配位，以扭曲的八面体方式配位。不同的Fe-N键长度[2.1397 (13)-2.2254 （12）Å]、（N-Fe-N）顺式[80.12(4)-96.72(5)°]和（N-Fe-N）反式[166.73(4)-176.62(5)°]键角导致畸变。两个对称相关的水分子之间存在氢键，作为相邻两个铁配合物的叠氮配体的γ-N原子的给氢体，以及作为另外两个铁配合物的dpa配体的酰胺基的受体。氢键模式导致八元⋯H-O-H⋯N⋯环和所涉及的分子的带状排列。此外，第二个叠氮配体的α-N原子作为受体与第二个dpa配体的酰胺基团作为给体之间的氢键较弱，相邻带交联至平行于（001）的层。

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