Diaquabis(4-methylbenzoato-κO)bis(nicotinamide-κN1)nickel(II)
The title NiII complex, [Ni(C8H7O2)2(C6H6N2O)2(H2O)2], is centrosymmetric with the Ni atom located on an inversion center. The molecule contains two 4-methylbenzoate (PMB) and two nicotinamide (NA) ligands and two coordinated water molecules, all ligands being monodentate. The four O atoms in the eq...
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International Union of Crystallography
2010-04-01
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Series: | Acta Crystallographica Section E |
Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536810007385 |
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doaj-125ed714fd264c13a5805ea8a92789492020-11-25T01:04:34ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-04-01664m361m36210.1107/S1600536810007385Diaquabis(4-methylbenzoato-κO)bis(nicotinamide-κN1)nickel(II)Hacali NecefoğluEfdal ÇimenBarış TercanEmel ErmişTuncer HökelekThe title NiII complex, [Ni(C8H7O2)2(C6H6N2O)2(H2O)2], is centrosymmetric with the Ni atom located on an inversion center. The molecule contains two 4-methylbenzoate (PMB) and two nicotinamide (NA) ligands and two coordinated water molecules, all ligands being monodentate. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxylate group and the adjacent benzene ring is 26.15 (10)°, while the pyridine and benzene rings are oriented at a dihedral angle of 87.81 (4)°. In the crystal structure, intermolecular O—H...O and N—H...O hydrogen bonds link the molecules into a three-dimensional network. The π–π contact between the benzene rings [centroid–centroid distance = 3.896 (1) Å] may further stabilize the crystal structure. A weak C—H...π interaction involving the pyridine ring also occurs. http://scripts.iucr.org/cgi-bin/paper?S1600536810007385 |
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DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Hacali Necefoğlu Efdal Çimen Barış Tercan Emel Ermiş Tuncer Hökelek |
spellingShingle |
Hacali Necefoğlu Efdal Çimen Barış Tercan Emel Ermiş Tuncer Hökelek Diaquabis(4-methylbenzoato-κO)bis(nicotinamide-κN1)nickel(II) Acta Crystallographica Section E |
author_facet |
Hacali Necefoğlu Efdal Çimen Barış Tercan Emel Ermiş Tuncer Hökelek |
author_sort |
Hacali Necefoğlu |
title |
Diaquabis(4-methylbenzoato-κO)bis(nicotinamide-κN1)nickel(II) |
title_short |
Diaquabis(4-methylbenzoato-κO)bis(nicotinamide-κN1)nickel(II) |
title_full |
Diaquabis(4-methylbenzoato-κO)bis(nicotinamide-κN1)nickel(II) |
title_fullStr |
Diaquabis(4-methylbenzoato-κO)bis(nicotinamide-κN1)nickel(II) |
title_full_unstemmed |
Diaquabis(4-methylbenzoato-κO)bis(nicotinamide-κN1)nickel(II) |
title_sort |
diaquabis(4-methylbenzoato-κo)bis(nicotinamide-κn1)nickel(ii) |
publisher |
International Union of Crystallography |
series |
Acta Crystallographica Section E |
issn |
1600-5368 |
publishDate |
2010-04-01 |
description |
The title NiII complex, [Ni(C8H7O2)2(C6H6N2O)2(H2O)2], is centrosymmetric with the Ni atom located on an inversion center. The molecule contains two 4-methylbenzoate (PMB) and two nicotinamide (NA) ligands and two coordinated water molecules, all ligands being monodentate. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxylate group and the adjacent benzene ring is 26.15 (10)°, while the pyridine and benzene rings are oriented at a dihedral angle of 87.81 (4)°. In the crystal structure, intermolecular O—H...O and N—H...O hydrogen bonds link the molecules into a three-dimensional network. The π–π contact between the benzene rings [centroid–centroid distance = 3.896 (1) Å] may further stabilize the crystal structure. A weak C—H...π interaction involving the pyridine ring also occurs. |
url |
http://scripts.iucr.org/cgi-bin/paper?S1600536810007385 |
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