MersV1, Ncbi, Merge, bibRecord, 000848

{6,6′-Dimethoxy-2,2′-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenolato}nickel(II) 1.78-hydrate

Identifieur interne : 000848 ( Ncbi/Merge ); précédent : 000847; suivant : 000849

{6,6′-Dimethoxy-2,2′-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenolato}nickel(II) 1.78-hydrate

Auteurs : Chin Sing Yeap [Malaisie] ; Reza Kia [Malaisie] ; Hadi Kargar [Iran] ; Hoong-Kun Fun [Malaisie]

Source :

Acta Crystallographica Section E: Structure Reports Online [ 1600-5368 ] ; 2009.

RBID : PMC:2977614

Abstract

In the title complex, [Ni(C₂₁H₂₄N₂O₄)]·1.78H₂O, the Ni^II ion has a slightly distorted planar geometry, coordinated by the two N and two O atoms of the tetradentate Schiff base ligand, with a mean deviation of 0.272 Å from the NiN₂O₂ plane. The N and O donor atoms are mutually cis. The dihedral angle between two benzene rings of the ligand is 38.86 (8)°. There are also three solvent water molecules, two of which lie across different crystallographic twofold rotation axes; one of these is partially occupied with a refined occupancy factor of 0.570 (7). The water molecules are linked together as tetramers in R₂²(8) ring motifs, which also connect two neighbouring molecules of the complex through a network of O—H⋯O hydrogen bonds. The crystal structure is further stabilized by intermolecular C—H⋯O and C—H⋯π interactions, which link neighbouring molecules into extended chains along the b axis. Other interesting features of the crystal structure are the short intermolecular C⋯C [3.204 (3)–3.365 (3) Å] and the C⋯O [3.199 (2)–3.205 (2) Å] contacts which are shorter than the sum of the van der Waals radii of these atoms.

Url:

http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977614

DOI: 10.1107/S1600536809014500
PubMed: 21583800
PubMed Central: 2977614

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PMC:2977614

Le document en format XML

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<author><name sortKey="Yeap, Chin Sing" sort="Yeap, Chin Sing" uniqKey="Yeap C" first="Chin Sing" last="Yeap">Chin Sing Yeap</name>
<affiliation wicri:level="1"><nlm:aff id="a">X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang,<country>Malaysia</country>
</nlm:aff>
<country xml:lang="fr">Malaisie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Kia, Reza" sort="Kia, Reza" uniqKey="Kia R" first="Reza" last="Kia">Reza Kia</name>
<affiliation wicri:level="1"><nlm:aff id="a">X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang,<country>Malaysia</country>
</nlm:aff>
<country xml:lang="fr">Malaisie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
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<author><name sortKey="Kargar, Hadi" sort="Kargar, Hadi" uniqKey="Kargar H" first="Hadi" last="Kargar">Hadi Kargar</name>
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<country xml:lang="fr">Iran</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
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<author><name sortKey="Fun, Hoong Kun" sort="Fun, Hoong Kun" uniqKey="Fun H" first="Hoong-Kun" last="Fun">Hoong-Kun Fun</name>
<affiliation wicri:level="1"><nlm:aff id="a">X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang,<country>Malaysia</country>
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<country xml:lang="fr">Malaisie</country>
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<series><title level="j">Acta Crystallographica Section E: Structure Reports Online</title>
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<front><div type="abstract" xml:lang="en"><p>In the title complex, [Ni(C<sub>21</sub>
H<sub>24</sub>
N<sub>2</sub>
O<sub>4</sub>
)]·1.78H<sub>2</sub>
O, the Ni<sup>II</sup>
 ion has a slightly distorted planar geometry, coordinated by the two N and two O atoms of the tetradentate Schiff base ligand, with a mean deviation of 0.272 Å from the NiN<sub>2</sub>
O<sub>2</sub>
 plane. The N and O donor atoms are mutually <italic>cis</italic>
. The dihedral angle between two benzene rings of the ligand is 38.86 (8)°. There are also three solvent water molecules, two of which lie across different crystallographic twofold rotation axes; one of these is partially occupied with a refined occupancy factor of 0.570 (7). The water molecules are linked together as tetramers in <italic>R</italic>
<sub>2</sub>
<sup>2</sup>
(8) ring motifs, which also connect two neighbouring molecules of the complex through a network of O—H⋯O hydrogen bonds. The crystal structure is further stabilized by intermolecular C—H⋯O and C—H⋯π interactions, which link neighbouring molecules into extended chains along the <italic>b</italic>
 axis. Other interesting features of the crystal structure are the short intermolecular C⋯C [3.204 (3)–3.365 (3) Å] and the C⋯O [3.199 (2)–3.205 (2) Å] contacts which are shorter than the sum of the van der Waals radii of these atoms.</p>
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<author><name sortKey="Yeap, Chin Sing" sort="Yeap, Chin Sing" uniqKey="Yeap C" first="Chin Sing" last="Yeap">Chin Sing Yeap</name>
<affiliation wicri:level="1"><nlm:aff id="a">X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang,<country>Malaysia</country>
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<country xml:lang="fr">Malaisie</country>
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<author><name sortKey="Kia, Reza" sort="Kia, Reza" uniqKey="Kia R" first="Reza" last="Kia">Reza Kia</name>
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</nlm:aff>
<country xml:lang="fr">Malaisie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
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<author><name sortKey="Kargar, Hadi" sort="Kargar, Hadi" uniqKey="Kargar H" first="Hadi" last="Kargar">Hadi Kargar</name>
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<country xml:lang="fr">Iran</country>
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</nlm:aff>
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<author><name sortKey="Yeap, Chin Sing" sort="Yeap, Chin Sing" uniqKey="Yeap C" first="Chin Sing" last="Yeap">Chin Sing Yeap</name>
<affiliation wicri:level="1"><nlm:aff id="a">X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang,<country>Malaysia</country>
</nlm:aff>
<country xml:lang="fr">Malaisie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Kia, Reza" sort="Kia, Reza" uniqKey="Kia R" first="Reza" last="Kia">Reza Kia</name>
<affiliation wicri:level="1"><nlm:aff id="a">X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang,<country>Malaysia</country>
</nlm:aff>
<country xml:lang="fr">Malaisie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Kargar, Hadi" sort="Kargar, Hadi" uniqKey="Kargar H" first="Hadi" last="Kargar">Hadi Kargar</name>
<affiliation wicri:level="1"><nlm:aff id="b">Department of Chemistry, School of Science, Payame Noor University (PNU), Ardakan, Yazd,<country>Iran</country>
</nlm:aff>
<country xml:lang="fr">Iran</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Fun, Hoong Kun" sort="Fun, Hoong Kun" uniqKey="Fun H" first="Hoong-Kun" last="Fun">Hoong-Kun Fun</name>
<affiliation wicri:level="1"><nlm:aff id="a">X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang,<country>Malaysia</country>
</nlm:aff>
<country xml:lang="fr">Malaisie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
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<series><title level="j">Acta Crystallographica Section E: Structure Reports Online</title>
<idno type="eISSN">1600-5368</idno>
<imprint><date when="2009">2009</date>
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<profileDesc><textClass></textClass>
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<front><div type="abstract" xml:lang="en"><p>In the title complex, [Ni(C<sub>21</sub>
H<sub>24</sub>
N<sub>2</sub>
O<sub>4</sub>
)]·1.78H<sub>2</sub>
O, the Ni<sup>II</sup>
 ion has a slightly distorted planar geometry, coordinated by the two N and two O atoms of the tetradentate Schiff base ligand, with a mean deviation of 0.272 Å from the NiN<sub>2</sub>
O<sub>2</sub>
 plane. The N and O donor atoms are mutually <italic>cis</italic>
. The dihedral angle between two benzene rings of the ligand is 38.86 (8)°. There are also three solvent water molecules, two of which lie across different crystallographic twofold rotation axes; one of these is partially occupied with a refined occupancy factor of 0.570 (7). The water molecules are linked together as tetramers in <italic>R</italic>
<sub>2</sub>
<sup>2</sup>
(8) ring motifs, which also connect two neighbouring molecules of the complex through a network of O—H⋯O hydrogen bonds. The crystal structure is further stabilized by intermolecular C—H⋯O and C—H⋯π interactions, which link neighbouring molecules into extended chains along the <italic>b</italic>
 axis. Other interesting features of the crystal structure are the short intermolecular C⋯C [3.204 (3)–3.365 (3) Å] and the C⋯O [3.199 (2)–3.205 (2) Å] contacts which are shorter than the sum of the van der Waals radii of these atoms.</p>
</div>
</front>
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</pmc>
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<author><name sortKey="Yeap, Chin Sing" sort="Yeap, Chin Sing" uniqKey="Yeap C" first="Chin Sing" last="Yeap">Chin Sing Yeap</name>
</author>
<author><name sortKey="Kia, Reza" sort="Kia, Reza" uniqKey="Kia R" first="Reza" last="Kia">Reza Kia</name>
</author>
<author><name sortKey="Kargar, Hadi" sort="Kargar, Hadi" uniqKey="Kargar H" first="Hadi" last="Kargar">Hadi Kargar</name>
</author>
<author><name sortKey="Fun, Hoong Kun" sort="Fun, Hoong Kun" uniqKey="Fun H" first="Hoong-Kun" last="Fun">Hoong-Kun Fun</name>
</author>
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<author><name sortKey="Yeap, Chin Sing" sort="Yeap, Chin Sing" uniqKey="Yeap C" first="Chin Sing" last="Yeap">Chin Sing Yeap</name>
</author>
<author><name sortKey="Kia, Reza" sort="Kia, Reza" uniqKey="Kia R" first="Reza" last="Kia">Reza Kia</name>
</author>
<author><name sortKey="Kargar, Hadi" sort="Kargar, Hadi" uniqKey="Kargar H" first="Hadi" last="Kargar">Hadi Kargar</name>
</author>
<author><name sortKey="Fun, Hoong Kun" sort="Fun, Hoong Kun" uniqKey="Fun H" first="Hoong-Kun" last="Fun">Hoong-Kun Fun</name>
</author>
</analytic>
<series><title level="j">Acta crystallographica. Section E, Structure reports online</title>
<idno type="ISSN">1600-5368</idno>
<imprint><date when="2009" type="published">2009</date>
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</biblStruct>
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<front><div type="abstract" xml:lang="en">In the title complex, [Ni(C(21)H(24)N(2)O(4))]·1.78H(2)O, the Ni(II) ion has a slightly distorted planar geometry, coordinated by the two N and two O atoms of the tetra-dentate Schiff base ligand, with a mean deviation of 0.272 Å from the NiN(2)O(2) plane. The N and O donor atoms are mutually cis. The dihedral angle between two benzene rings of the ligand is 38.86 (8)°. There are also three solvent water mol-ecules, two of which lie across different crystallographic twofold rotation axes; one of these is partially occupied with a refined occupancy factor of 0.570 (7). The water mol-ecules are linked together as tetra-mers in R(2) (2)(8) ring motifs, which also connect two neighbouring mol-ecules of the complex through a network of O-H⋯O hydrogen bonds. The crystal structure is further stabilized by inter-molecular C-H⋯O and C-H⋯π inter-actions, which link neighbouring mol-ecules into extended chains along the b axis. Other inter-esting features of the crystal structure are the short inter-molecular C⋯C [3.204 (3)-3.365 (3) Å] and the C⋯O [3.199 (2)-3.205 (2) Å] contacts which are shorter than the sum of the van der Waals radii of these atoms.</div>
</front>
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{6,6′-Dimeth­oxy-2,2′-[2,2-dimethyl­propane-1,3-diylbis(nitrilo­methyl­idyne)]diphenolato}nickel(II) 1.78-hydrate

{6,6′-Dimeth­oxy-2,2′-[2,2-dimethyl­propane-1,3-diylbis(nitrilo­methyl­idyne)]diphenolato}nickel(II) 1.78-hydrate

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{6,6′-Dimethoxy-2,2′-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenolato}nickel(II) 1.78-hydrate

{6,6′-Dimethoxy-2,2′-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenolato}nickel(II) 1.78-hydrate