Bis[tris(pyridin-2-yl)amine]iron(II) tris(dicyanomethylidene)methanediide

Zouaoui Setifi; Fatima Setifi; Necmi Dege; Mohammed Hadi Al-Douh; Christopher Glidewell

doi:10.1107/S241431462001278X

Bis[tris(pyridin-2-yl)amine]iron(II) tris(dicyanomethylidene)methanediide

Zouaoui Setifi, Fatima Setifi, Necmi Dege, Mohammed Hadi Al-Douh, Christopher Glidewell

School of Chemistry

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Abstract

In the title compound, [Fe{(C₅H₄N)₃N}₂][C{C(CN)₂}₃], both ions lie across centres of inversion, with the anion being statistically disordered over two sets of atomic sites having equal occupancy. The cation and anion have approximate 3 and 32 symmetry, respectively, and the Fe---N bond lengths indicate low-spin Fe^II. A combination of two-centre C—H···N and three-centre C—H···(N)₂ hydrogen bonds link the ions into complex sheets. Several low-occupancy water molecules are present, whose H atoms could not be located: accordingly, the reflection data were subjected to the SQUEEZE procedure [Spek (2015). Acta Cryst. C71, 9-18].

Original language	English
Article number	x201278
Number of pages	3
Journal	IUCrData
Volume	5
Issue number	9
DOIs	https://doi.org/10.1107/S241431462001278X
Publication status	Published - 25 Sept 2020

Keywords

Synthesis
Crystal structure
Molecular structure
Disorder

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10.1107/S241431462001278XLicence: CC BY

Setifi_2020_IUCR_bis_CC
Copyright © 2020 The Author(s). This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
Final published version, 627 KBLicence: CC BY

Bis[tris(pyridin-2-yl)amine]iron(II) tris(dicyanomethylidene)methanediide (dataset)
Glidewell, C. (Creator), Cambridge Crystallographic Data Centre, 2020
https://dx.doi.org/10.5517/ccdc.csd.cc267cb5
Dataset

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@article{2427bdeb0fad4c0a988d0fd7f0b768da,

title = "Bis[tris(pyridin-2-yl)amine]iron(II) tris(dicyanomethylidene)methanediide",

abstract = "In the title compound, [Fe{(C5H4N)3N}2][C{C(CN)2}3], both ions lie across centres of inversion, with the anion being statistically disordered over two sets of atomic sites having equal occupancy. The cation and anion have approximate 3 and 32 symmetry, respectively, and the Fe---N bond lengths indicate low-spin FeII. A combination of two-centre C—H···N and three-centre C—H···(N)2 hydrogen bonds link the ions into complex sheets. Several low-occupancy water molecules are present, whose H atoms could not be located: accordingly, the reflection data were subjected to the SQUEEZE procedure [Spek (2015). Acta Cryst. C71, 9-18].",

keywords = "Synthesis, Crystal structure, Molecular structure, Disorder",

author = "Zouaoui Setifi and Fatima Setifi and Necmi Dege and Al-Douh, {Mohammed Hadi} and Christopher Glidewell",

note = "FS gratefully acknowledges the Algerian MESRS (Ministere de l{\textquoteright}Enseignement Superieur et de la Recherche Scientifique), the DGRSDT (Direction Generale de la Recherche Scientifique et du Developpement Technologique), as well as the Universite Ferhat Abbas Setif 1 for financial support.",

year = "2020",

month = sep,

day = "25",

doi = "10.1107/S241431462001278X",

language = "English",

volume = "5",

journal = "IUCrData",

issn = "2414-3146",

publisher = "International Union of Crystallography",

number = "9",

}

TY - JOUR

T1 - Bis[tris(pyridin-2-yl)amine]iron(II) tris(dicyanomethylidene)methanediide

AU - Setifi, Zouaoui

AU - Setifi, Fatima

AU - Dege, Necmi

AU - Al-Douh, Mohammed Hadi

AU - Glidewell, Christopher

N1 - FS gratefully acknowledges the Algerian MESRS (Ministere de l’Enseignement Superieur et de la Recherche Scientifique), the DGRSDT (Direction Generale de la Recherche Scientifique et du Developpement Technologique), as well as the Universite Ferhat Abbas Setif 1 for financial support.

PY - 2020/9/25

Y1 - 2020/9/25

N2 - In the title compound, [Fe{(C5H4N)3N}2][C{C(CN)2}3], both ions lie across centres of inversion, with the anion being statistically disordered over two sets of atomic sites having equal occupancy. The cation and anion have approximate 3 and 32 symmetry, respectively, and the Fe---N bond lengths indicate low-spin FeII. A combination of two-centre C—H···N and three-centre C—H···(N)2 hydrogen bonds link the ions into complex sheets. Several low-occupancy water molecules are present, whose H atoms could not be located: accordingly, the reflection data were subjected to the SQUEEZE procedure [Spek (2015). Acta Cryst. C71, 9-18].

AB - In the title compound, [Fe{(C5H4N)3N}2][C{C(CN)2}3], both ions lie across centres of inversion, with the anion being statistically disordered over two sets of atomic sites having equal occupancy. The cation and anion have approximate 3 and 32 symmetry, respectively, and the Fe---N bond lengths indicate low-spin FeII. A combination of two-centre C—H···N and three-centre C—H···(N)2 hydrogen bonds link the ions into complex sheets. Several low-occupancy water molecules are present, whose H atoms could not be located: accordingly, the reflection data were subjected to the SQUEEZE procedure [Spek (2015). Acta Cryst. C71, 9-18].

KW - Synthesis

KW - Crystal structure

KW - Molecular structure

KW - Disorder

U2 - 10.1107/S241431462001278X

DO - 10.1107/S241431462001278X

M3 - Article

SN - 2414-3146

VL - 5

JO - IUCrData

JF - IUCrData

IS - 9

M1 - x201278

ER -

Bis[tris(pyridin-2-yl)amine]iron(II) tris(dicyanomethylidene)methanediide

Abstract

Keywords

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Datasets

Bis[tris(pyridin-2-yl)amine]iron(II) tris(dicyanomethylidene)methanediide (dataset)

Cite this