A square-pyramidal copper(II) complex with strong intramolecular hydrogen bonds: diaqua(N,N′-dimethylformamide-κO)bis[2-(diphenylphosphoryl)benzoato-κO]copper(II)

Author(s):  
Mengbo Zhou ◽  
Li Song ◽  
Feng Niu ◽  
Kangying Shu ◽  
Wenxiang Chai

In the title CuIIcomplex, [Cu(C19H14O3P)2(C3H7NO)(H2O)2], the molecule is bisected by a twofold axis relating the two 2-(diphenylphosphoryl)benzoate (ODPPB) ligands. The asymmetric unit consists of a CuIImetal centre on the symmetry axis, an ODPPB ligand, one water ligand and one dimethylformamide (DMF) ligand (disordered around the twofold axis). The CuIIion has fivefold coordination provided by two carboxylate O atoms from two ODPPB ligands, two O atoms from two coordinated water molecules and another O atom from a (disordered) DMF molecule, giving a CuO5square-pyramidal coordination geometry. The ODPPB ligand adopts a terminal monocoordinated mode with two free O atoms forming two strong intramolecular hydrogen bonds with the coordinated water molecules, which may play a key role in the stability of the molecular structure, as shown by the higher release temperature for the coordinated water molecules than for the coordinated DMF molecule. The optical absorption properties of powder samples of the title compound have also been studied.

2003 ◽  
Vol 59 (11) ◽  
pp. m473-m474 ◽  
Author(s):  
You-Ming Zhang ◽  
Liang Xian ◽  
Tai-Bao Wei

The title complex, chlorobis{ethyl N-[(4-methylanilino)thiocarbonyl]carbamate-κS}copper(I), [CuCl(C11H14N2O2S)2], was synthesized by the reaction of cupric chloride with the corresponding thiourea derivative. The complex has imposed crystallographic m symmetry and the CuI coordination environment is trigonal planar, formed by two S atoms and one Cl atom. The formation of intramolecular hydrogen bonds promotes the stability of the complex.


Author(s):  
Dejan Poleti ◽  
Jelena Rogan

The title compound, Rb2[Co(H2O)6](C8H5O4)4·4H2O, consists of nearly regular octahedral [Co(H2O)6]2+cations with the CoIIcations on the inversion centre (special position 2a), Rb+cations, hydrogen phthalate (Hpht−) anions and disordered water molecules. The Rb+cation is surrounded by nine O atoms from Hpht−anions and water molecules, with a strongly deformed pentagonal–bipyramidal geometry and one apex split into three positions. The crystal packing is governed by numerous hydrogen bonds involving all water molecules and Hpht−anions. In this way, layers parallel to theabplane are formed, with the aromatic rings of the Hpht−anions esentially directed along thecaxis. While Hpht−anions form the outer part of the layers, disordered water molecules and Rb+cations alternate with [Co(H2O)6]2+cations in the inner parts. The only interactions between the layers are van der Waals forces between the atoms of the aromatic rings. A search of the Cambridge Structural Database for coordination modes and types of hydrogen-bonding interaction of the Hpht−anion showed that, when uncoordinated Hpht−anions are present, compounds with intermolecular hydrogen bonds are more numerous than compounds with intramolecular hydrogen bonds. For coordinated Hpht−anions, chelating and bridging anions are almost equally common, while monodentate anions are relatively scarce. The same coordination modes appear for Hpht−anions with or without intramolecular hydrogen bonds, although intramolecular hydrogen bonds are less common.


2007 ◽  
Vol 63 (11) ◽  
pp. m2857-m2857
Author(s):  
Lu Lu ◽  
Jun Wang ◽  
Bao-Zhong Zhao ◽  
Feng-Chun Zeng

In the title complex, [Zn(C12H6N2O4)(H2O)2] n , the Zn atom, located on a twofold axis, is six-coordinated in a distorted octahedral arrangement, with two N atoms and two O atoms of two symmetry-related 2,2′-bipyridine-3,3′-dicarboxyate (dcbp) ligands located in the equatorial plane, while the two O atoms of the water molecules occupy the axial positions. The dcbp ligand acts as a bridging ligand, linking adjacent Zn ions and forming a one-dimensional infinite chain parallel to the b axis. O—H...O hydrogen bonds involving the coordinated water molecules connect adjacent chains to form layers parallel to the (001) plane.


1974 ◽  
Vol 139 (3) ◽  
pp. 791-792 ◽  
Author(s):  
Patrice de Meester ◽  
David M. L. Goodgame ◽  
T. Jeffrey Jones ◽  
Andrzej C. Skapski

Single-crystal X-ray studies of a manganese(II) derivative of guanosine 5′-monophosphate, [Mn(5′-GMP)(H2O)5],3H2O, have shown that it is isostructural with its nickel analogue. The manganese atom therefore is bonded to five water molecules with the remaining octahedral co-ordination site being occupied by N-7 of the nucleotide base. No direct metal–phosphate bonding is involved, but there are structure-stabilizing intramolecular hydrogen bonds between two phosphate oxygen atoms and co-ordinated water molecules.


2014 ◽  
Vol 70 (9) ◽  
pp. m326-m327 ◽  
Author(s):  
Natarajan Saravanan ◽  
Parasuraman Selvam

In the title monomeric manganese(II) complex, [Mn(CH3COO)2(C10H8N2)(H2O)2], the metal ion is coordinated by a bidentate 2,2′-bipyridine (bpy) ligand, two water molecules and two axial acetate anions, resulting in a highly distorted octahedral environment. The aqua ligands are stabilized by the formation of strong intramolecular hydrogen bonds with the uncoordinated acetate O atoms, giving rise to pseudo-bridging arrangement of the terminal acetate groups. In the crystal, the molecules form [010] zigzag chainsviaO—H...O hydrogen bonds involving the aqua ligands and acetate O atoms. Further, the water and bpy ligands aretransto each other, and are arranged in an off-set fashion showing intermolecular π–π stacking between nearly parallel bipy rings, the centroid–centroid separations being 3.8147 (12) and 3.9305 (13) Å.


2020 ◽  
Vol 22 (11) ◽  
pp. 6210-6221
Author(s):  
Konoya Das ◽  
Subrahmanyam Sappati ◽  
Partha Hazra

The hydrogen bonding abilities of the LLC water molecules and their effects on intramolecular hydrogen bonds of the target probe molecules.


Author(s):  
Jacek Waluk ◽  
Arkadiusz Listkowski ◽  
Natalia Masiera ◽  
Michał Kijak ◽  
Roman Luboradzki ◽  
...  

1974 ◽  
Vol 20 (3) ◽  
pp. 414-415
Author(s):  
Ya. A. Shuster ◽  
V. A. Granzhan ◽  
P. M. Zaitsev

1991 ◽  
Vol 56 (4) ◽  
pp. 880-885 ◽  
Author(s):  
Oľga Hritzová ◽  
Dušan Koščík

Intramolecular hydrogen bonds of the N-H···O=C type have been detected in the derivatives of N-substituted N’-benzoyl- and N’-(2-chlorobenzoyl)thiourea on the basis of IR spectral studies. The title compounds can exist in two tautomeric forms.


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