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Crystal structure of tetra-aqua-(5,5'-dimethyl-2,2'-bipyridyl-κ(2) N,N')iron(II) sulfate.

Belamri Y, Setifi F, Francuski BM, Novaković SB, Zouaoui S - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: O-H⋯O hydrogen bonding between the four aqua ligands of the cationic complex and four O-atom acceptors of the anion leads to the formation of layers parallel to the ab plane.Neighbouring layers further inter-act by means of C-H⋯O and π-π inter-actions involving the laterally positioned bi-pyridine rings.The perpen-dicular distance between π-π inter-acting rings is 3.365 (2) Å, with a centroid-centroid distance of 3.702 (3) Å.

View Article: PubMed Central - HTML - PubMed

Affiliation: Laboratoire de Chimie, Ingénierie Moléculaire et Nanostructures (LCIMN), Université Ferhat Abbas Sétif 1, Sétif 19000, Algeria.

ABSTRACT
In the title compound, [Fe(C12H12N2)(H2O)4]SO4, the central Fe(II) ion is coordinated by two N atoms from the 5,5'-dimethyl-2,2'-bi-pyridine ligand and four water O atoms in a distorted octa-hedral geometry. The Fe-O coordination bond lengths vary from 2.080 (3) to 2.110 (3) Å, while the two Fe-N coordination bonds have practically identical lengths [2.175 (3) and 2.177 (3) Å]. The chelating N-Fe-N angle of 75.6 (1)° shows the largest deviation from an ideal octa-hedral geometry; the other coordination angles deviate from ideal values by 0.1 (1) to 9.1 (1)°. O-H⋯O hydrogen bonding between the four aqua ligands of the cationic complex and four O-atom acceptors of the anion leads to the formation of layers parallel to the ab plane. Neighbouring layers further inter-act by means of C-H⋯O and π-π inter-actions involving the laterally positioned bi-pyridine rings. The perpen-dicular distance between π-π inter-acting rings is 3.365 (2) Å, with a centroid-centroid distance of 3.702 (3) Å.

No MeSH data available.


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The mol­ecular structure of (I), with atom labels and 50% probability displacement ellipsoids for non-H atoms. Hydrogen bonds are indicated by dashed lines.
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fig1: The mol­ecular structure of (I), with atom labels and 50% probability displacement ellipsoids for non-H atoms. Hydrogen bonds are indicated by dashed lines.

Mentions: A mol­ecular view of complex (I), together with the atom-numbering scheme is given in Fig. 1 ▶. The crystal structure of (I) consists of the cationic complex [Fe(dmbpy)(H2O)4]2+ and a free [SO4]2− counter-ion. The FeII atom is in a distorted octa­hedral coordination environment and the equatorial plane of the octa­hedron is formed by a pair of nitro­gen donors from the 5,5′-dimethyl-2,2′-bipyridyl ligand and two mol­ecules of water, while the axial sites are occupied by two other water mol­ecules. The equatorial donor atoms are nearly coplanar (r.m.s. deviation = 0.0062 Å), while the deviation of the Fe atom from the least-squares plane is somewhat larger [0.021 (2) Å]. The bi­pyridine chelating angle N1—Fe—N2 of 75.6 (1)° shows the most significant deviation from an ideal octa­hedral geometry. The other angular distortions from an ideal octa­hedral geometry are in the range 0.1 (1) to 9.1 (1)°. The S—O bond lengths [1.466 (3)–1.480 (3) Å] and O—S—O angles [108.8 (2)–109.9 (2)°] indicate a nearly ideal tetra­hedral geometry for the anion.


Crystal structure of tetra-aqua-(5,5'-dimethyl-2,2'-bipyridyl-κ(2) N,N')iron(II) sulfate.

Belamri Y, Setifi F, Francuski BM, Novaković SB, Zouaoui S - Acta Crystallogr Sect E Struct Rep Online (2014)

The mol­ecular structure of (I), with atom labels and 50% probability displacement ellipsoids for non-H atoms. Hydrogen bonds are indicated by dashed lines.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257445&req=5

fig1: The mol­ecular structure of (I), with atom labels and 50% probability displacement ellipsoids for non-H atoms. Hydrogen bonds are indicated by dashed lines.
Mentions: A mol­ecular view of complex (I), together with the atom-numbering scheme is given in Fig. 1 ▶. The crystal structure of (I) consists of the cationic complex [Fe(dmbpy)(H2O)4]2+ and a free [SO4]2− counter-ion. The FeII atom is in a distorted octa­hedral coordination environment and the equatorial plane of the octa­hedron is formed by a pair of nitro­gen donors from the 5,5′-dimethyl-2,2′-bipyridyl ligand and two mol­ecules of water, while the axial sites are occupied by two other water mol­ecules. The equatorial donor atoms are nearly coplanar (r.m.s. deviation = 0.0062 Å), while the deviation of the Fe atom from the least-squares plane is somewhat larger [0.021 (2) Å]. The bi­pyridine chelating angle N1—Fe—N2 of 75.6 (1)° shows the most significant deviation from an ideal octa­hedral geometry. The other angular distortions from an ideal octa­hedral geometry are in the range 0.1 (1) to 9.1 (1)°. The S—O bond lengths [1.466 (3)–1.480 (3) Å] and O—S—O angles [108.8 (2)–109.9 (2)°] indicate a nearly ideal tetra­hedral geometry for the anion.

Bottom Line: O-H⋯O hydrogen bonding between the four aqua ligands of the cationic complex and four O-atom acceptors of the anion leads to the formation of layers parallel to the ab plane.Neighbouring layers further inter-act by means of C-H⋯O and π-π inter-actions involving the laterally positioned bi-pyridine rings.The perpen-dicular distance between π-π inter-acting rings is 3.365 (2) Å, with a centroid-centroid distance of 3.702 (3) Å.

View Article: PubMed Central - HTML - PubMed

Affiliation: Laboratoire de Chimie, Ingénierie Moléculaire et Nanostructures (LCIMN), Université Ferhat Abbas Sétif 1, Sétif 19000, Algeria.

ABSTRACT
In the title compound, [Fe(C12H12N2)(H2O)4]SO4, the central Fe(II) ion is coordinated by two N atoms from the 5,5'-dimethyl-2,2'-bi-pyridine ligand and four water O atoms in a distorted octa-hedral geometry. The Fe-O coordination bond lengths vary from 2.080 (3) to 2.110 (3) Å, while the two Fe-N coordination bonds have practically identical lengths [2.175 (3) and 2.177 (3) Å]. The chelating N-Fe-N angle of 75.6 (1)° shows the largest deviation from an ideal octa-hedral geometry; the other coordination angles deviate from ideal values by 0.1 (1) to 9.1 (1)°. O-H⋯O hydrogen bonding between the four aqua ligands of the cationic complex and four O-atom acceptors of the anion leads to the formation of layers parallel to the ab plane. Neighbouring layers further inter-act by means of C-H⋯O and π-π inter-actions involving the laterally positioned bi-pyridine rings. The perpen-dicular distance between π-π inter-acting rings is 3.365 (2) Å, with a centroid-centroid distance of 3.702 (3) Å.

No MeSH data available.


Related in: MedlinePlus