scholarly journals Structural characterization and DFT study of bis{(S)-2-[(2-hydroxybenzyl)amino]-3-(4-hydroxyphenyl)propanoato-κ2 N,O}(1,10-phenanthroline-κ2 N,N′)cadmium(II) tetrahydrate

2018 ◽  
Vol 74 (9) ◽  
pp. 1339-1343 ◽  
Author(s):  
Md. Serajul Haque Faizi ◽  
Necmi Dege ◽  
James Pogrebetsky ◽  
Turganbay S. Iskenderov
Keyword(s):  
Hydrogen Bonds ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Title Complex ◽  
Amino Groups ◽  
H Nmr ◽  
Octahedral Environment ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Intramolecular Hydrogen

In the title compound, [Cd(C16H16O3)2(C12H8N2)]·4H2O, the Cd ion lies on a twofold rotation axis and is chelated by two monodeprotonated residues of the L-tyrosine-derived ligand (S)-2-[(2-hydroxybenzyl)amino]-3-(4-hydroxyphenyl)propanoic acid (L) in a κ2 N,O amino acid chelating mode, exhibiting an (N,N′)-trans disposition, and by 1,10-phenanthroline in a κ2 N,N′ mode. The latter ligand is also located about the twofold rotation axis that bisects the central six-members ring. The phenolic groups remain protonated and non-coordinating and take part as acceptors in the intramolecular hydrogen bonds with the amino groups of the acido ligands. The Cd ion is six-coordinated in a distorted octahedral environment. In the crystal, O—H...O hydrogen bonds result in the formation of three-dimensional network structures. The title complex has also been characterized by IR and 1H NMR spectroscopy and DFT studies. The crystal studied was refined as an inversion twin.

scholarly journals Diazidobis[2,4-diamino-6-(2-pyridyl)-1,3,5-triazine-κ2N1,N6]zinc(II)

2009 ◽  
Vol 65 (6) ◽  
pp. m622-m622 ◽  
Author(s):  
Qi-Hua Zhao ◽  
Ai-Ling Fan ◽  
Li-Nan Li ◽  
Ming-Jing Xie
Keyword(s):  
Hydrogen Bonds ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Mononuclear Complex ◽  
Complex Molecules ◽  
Distorted Octahedral Environment ◽  
Octahedral Environment ◽  
Azide Ion ◽  
Dimensional Network ◽  
Distorted Octahedral

In the title mononuclear complex, [Zn(N3)2(C8H8N6)2], the ZnIIatom, lying on a twofold rotation axis, is six-coordinated in a distorted octahedral environment by four N atoms from two 2,4-diamino-6-(2-pyridyl)-1,3,5-triazine ligands and two N atoms from two end-on-coordinated azide ions. N—H...N hydrogen bonds between the ligand and azide ion link the complex molecules into a three-dimensional network.

scholarly journals Synthesis and crystal structure of a new chiral α-aminooxime nickel(II) complex

2021 ◽  
Vol 77 (11) ◽  
Author(s):  
Yasmina Homrani ◽  
Abdelaziz Dahdouh ◽  
Mohamed Amin El Amrani ◽  
Pauline Loxq ◽  
Frédéric Capet ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Nickel Complex ◽  
Three Dimensional ◽  
Synthesis And Crystal Structure ◽  
Octahedral Environment ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Intramolecular Hydrogen ◽  
Oxime Ligand

A dinuclear nickel complex with (S)-limonene based aminooxime ligand has been isolated and its crystal structure determined. The resolved structure of dichloridobis{(2S,5R)-2-methyl-5-(prop-1-en-2-yl)-2-[(pyridin-2-yl)methylamino]cyclohexan-1-one oxime}dinickel(II), [Ni2Cl2(C16H23ClN3O)2], at 100 K has monoclinic (P21) symmetry. The two NiII ions in the dinuclear complex are each coordinated in a distorted octahedral environment by three nitrogen atoms, a terminal chloride and two μ bridging chlorides. Each oxime ligand is coordinated to nickel(II) by the three nitrogen atoms, leading to two five-membered chelate rings, each displaying an envelope conformation. In the crystal, numerous intermolecular and intramolecular hydrogen bonds lead to the formation of a three-dimensional network structure.

scholarly journals Crystal structure of bis[(S)-2-(2-hydroxybenzylamino)-4-methylpentanoato-κ2 N,O 1](1,10-phenanthroline-κ2 N,N′)cadmium dihydrate

2018 ◽  
Vol 74 (11) ◽  
pp. 1565-1568
Author(s):  
Md. Serajul Haque Faizi ◽  
Necmi Dege ◽  
James Pogrebetsky ◽  
Turganbay S. Iskenderov
Keyword(s):  
Rotation Axis ◽  
Three Dimensional ◽  
Title Complex ◽  
Geometrical Parameters ◽  
Acta Cryst ◽  
H Nmr ◽  
Phenolic Oxygen ◽  
Oxygen Donor ◽  
Dimensional Network ◽  
Distorted Octahedral

The asymmetric unit of the mononuclear mixed-ligand title complex, [Cd(C13H18NO3)2(C12H8N2)]·2H2O, contains two crystallographically independent molecules that differ insignificantly in their geometrical parameters. In both, the CdII cation lies on a twofold rotation axis and is coordinated in a distorted octahedral fashion to two monodeprotonated residues of the L-leucine-derived ligand (S)-2-(2-hydroxybenzylamino)-4-methylpentanoic acid (L), as well as to a 1,10-phenanthroline ligand in a κ2 N,N′ mode. The former coordinate in an N,O-chelating mode, exhibiting a trans-N,N′ mutual disposition. The phenolic oxygen donor groups remain protonated and do not coordinate to the cation but take part in intra- and intermolecular hydrogen bonds. In the crystal, O—H...O hydrogen bonding results in the formation of a three-dimensional network structure. The contribution to the electron density of two disordered water molecules was removed with the SQUEEZE procedure in PLATON [Spek (2015). Acta Cryst. C71, 9–18]. The studied crystal was refined as a two-component inversion twin. The title complex was also characterized by IR and 1H NMR spectroscopic methods.

scholarly journals Crystal structure ofcatena-poly[[diaquabis(4-formylbenzoato-κO1)cobalt(II)]-μ-pyrazine-κ2N:N′]

2015 ◽  
Vol 71 (4) ◽  
pp. 339-341 ◽  
Author(s):  
Gülçin Şefiye Aşkın ◽  
Fatih Çelik ◽  
Nefise Dilek ◽  
Hacali Necefoğlu ◽  
Tuncer Hökelek
Keyword(s):  
Hydrogen Bonds ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Water Molecules ◽  
Carboxylate Group ◽  
Polymeric Compound ◽  
Distorted Octahedral Coordination ◽  
Linear Chains ◽  
Dimensional Network ◽  
Distorted Octahedral

In the title polymeric compound, [Co(C8H5O3)2(C4H4N2)(H2O)2]n, the CoIIatom is located on a twofold rotation axis and has a slightly distorted octahedral coordination sphere. In the equatorial plane, it is coordinated by two carboxylate O atoms of two symmetry-related monodentate formylbenzoate anions and by two N atoms of two bridging pyrazine ligands. The latter are bisected by the twofold rotation axis. The axial positions are occupied by two O atoms of the coordinating water molecules. In the formylbenzoate anion, the carboxylate group is twisted away from the attached benzene ring by 7.50 (8)°, while the benzene and pyrazine rings are oriented at a dihedral angle of 64.90 (4)°. The pyrazine ligands bridge the CoIIcations, forming linear chains running along theb-axis direction. Strong intramolecular O—H...O hydrogen bonds link the water molecules to the carboxylate O atoms. In the crystal, weak O—Hwater...Owaterhydrogen bonds link adjacent chains into layers parallel to thebcplane. The layers are linkedviaC—Hpyrazine...Oformylhydrogen bonds, forming a three-dimensional network. There are also weak C—H...π interactions present.

scholarly journals Tris(1,10-phenanthroline-κ2 N,N′)cobalt(II) bis(2,4,5-tricarboxybenzoate) monohydrate

IUCrData ◽  
2019 ◽  
Vol 4 (1) ◽  
Author(s):  
Kai-Long Zhong ◽  
Guo-Qing Cao ◽  
Wei Song ◽  
Chao Ni
Keyword(s):  
Hydrogen Bonds ◽  
Network Structure ◽  
Rotation Axis ◽  
Complex Cation ◽  
Three Dimensional ◽  
Two Dimensional ◽  
Dimensional Network ◽  
Distorted Octahedral

In the complex cation of the title salt, [Co(C12H8N2)3](C10H5O8)2·H2O, the CoII cation is situated on a twofold rotation axis and is coordinated in a distorted octahedral manner by six N atoms from three chelating 1,10-phenanthroline (phen) ligands. In the crystal, the non-coordinating 2,4,5-tricarboxybenzoate anions interact with each other via O—H...O hydrogen bonds, generating a two-dimensional network parallel to (100). Adjacent sheets are connected by waterO—H...Ocarboxylate hydrogen bonds, resulting in a three-dimensional network structure that surrounds the complex cations.

(2,9-Dimethyl-1,10-phenanthroline-κ2 N,N′)bis(3-hydroxybenzoato-κ2 O,O′)manganese(II) 2,9-dimethyl-1,10-phenanthroline dihydrate

2007 ◽  
Vol 63 (11) ◽  
pp. m2813-m2814 ◽  
Author(s):  
Xiao-peng Xuan ◽  
Pei-zheng Zhao ◽  
Shu-xia Zhang
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Distorted Octahedral Environment ◽  
Octahedral Environment ◽  
Dimensional Network ◽  
Distorted Octahedral

In the title compound, [Mn(C7H5O3)2(C14H12N2)]·C14H12N2·2H2O, the MnII ion is coordinated by a bidentate 2,9-dimethyl-1,10-phenanthroline (dmphen) ligand and two bidentate 3-hydroxybenzoate anions in a distorted octahedral environment. The structure is stabilized by O—H...O and O—H...N hydrogen bonds involving water molecules, the 3-hydroxybenzoate ligands and the uncoordinated dmphen molecules to form a three-dimensional network.

scholarly journals Crystal structure of tetraaquabis(1,3-dimethyl-2,6-dioxo-3,7-dihydro-1H-purin-9-ido)magnesium

2015 ◽  
Vol 71 (3) ◽  
pp. 321-323 ◽  
Author(s):  
Yabin Shi ◽  
Benyong Lou
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Three Dimensional ◽  
Imidazole Ring ◽  
Title Complex ◽  
Complex Molecules ◽  
Octahedral Environment ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Graph Set

The title complex, [Mg(C7H7N4O2)2(H2O)4], lies across an inversion centre and the MgIIatom is coordinated in a slightly distorted octahedral environment by four aqua ligands in the equatorial sites and two 1,3-dimethyl-2,6-dioxo-3,7-dihydro-1H-purin-9-ide ligands, through imidazole ring N atoms, in the axial sites. An intramolecular O—H...O hydrogen bond forms anS(7) graph-set motif. In the crystal, O—H...O and O—H...N hydrogen bonds link complex molecules forming a three-dimensional network incorporatingR42(8) andR22(18) graph-set motifs.

scholarly journals Chloridobis(ethane-1,2-diamine)(4H-1,2,4-triazole-κN1)cobalt(III) dichloride

IUCrData ◽  
2017 ◽  
Vol 2 (12) ◽  
Author(s):  
Y. AaminaNaaz ◽  
S. Thirumurugan ◽  
D. Venkatesh ◽  
K. Anbalagan ◽  
A. SubbiahPandi
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Chloride Ions ◽  
Title Complex ◽  
Hydrogen Bonding Interactions ◽  
Octahedral Environment ◽  
Twist Conformation ◽  
Distorted Octahedral ◽  
Cl Atom ◽  
Ring Motif

In the title complex, [CoIIICl(C2H8N2)2(C2H3N3)]Cl2, the CoIIIion has a distorted octahedral environment. It is surrounded by four N atoms in the equatorial plane, with another N atom and a Cl atom occupying the axial positions. Both five-membered Co—N—C—C—N rings adopt a twist conformation. The Co—N bond lengths range from 1.941 (2) to 1.954 (1) Å, while the Co—Cl bond length is 2.257 (1) Å. In the crystal, molecules are linked by N—H...N, N—H...Cl and C—H...Cl hydrogen bonds. Dimers are formed by N—H...Cl hydrogen-bonding interactions between amine H-atom donors and chloride ions resulting in anR42(8) ring motif. These dimers are further connected in a head-to-tail fashionviaN—H...Cl and C—H...Cl hydrogen bonds. All the interactions together combine to link the molecules into a three-dimensional framework.

scholarly journals cis-Bromidobis(1,2-diaminoethane-κ2 N,N′)(ethylamine-κN)cobalt(III) dibromide

IUCrData ◽  
2018 ◽  
Vol 3 (6) ◽  
Author(s):  
S. Manimaran ◽  
M. Manjunathan ◽  
E. Govindan ◽  
K. Sambathkumar ◽  
K. Anbalagan
Keyword(s):  
Hydrogen Bonds ◽  
Complex Cation ◽  
Three Dimensional ◽  
Title Complex ◽  
Coordination Environment ◽  
X Ray ◽  
Distorted Octahedral Coordination ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Distorted Octahedral Coordination Environment

In the title complex, [CoBr(C2H7N)(C2H8N2)2]Br2, the CoIII centre has a distorted octahedral coordination environment, and is surrounded by four N atoms in the equatorial plane, with an additional N atom and the Br atom occupying the axial positions. The complex is isostructural with the Cl compound for which the X-ray structure has also been reported [Anbalagan, Mahalakshmi & Ganeshraja (2011). J. Mol. Struct. 1005, 45–52]. In the crystal, the complex cation and the two counter-anions are linked via N—H...Br hydrogen bonds, forming a three-dimensional network.

scholarly journals Dianilinium bis(pyridine-2,6-dicarboxylato-κ3O2,N,O6)cuprate(II) hexahydrate

2012 ◽  
Vol 68 (8) ◽  
pp. m1020-m1021
Author(s):  
Amir Shokooh Saljooghi ◽  
Hadi Amiri Rudbari ◽  
Francesco Nicolò ◽  
Maliheh Zahmati ◽  
Fatemeh Delavar Mendi ◽  
...  
Keyword(s):  
Rotation Axis ◽  
Three Dimensional ◽  
Title Complex ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Solvent Water ◽  
Aniline Molecule ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Protonated Aniline

The asymmetric unit of the title complex, (C6H8N)2[Cu(C7H3NO4)2]·6H2O, contains half a copper(II)–dipicolinate complex located on a twofold rotation axis, one protonated aniline molecule and three solvent water molecules. The CuIIatom is coordinated by four O atoms and two N atoms from two dipicolinate ligands in a distorted octahedral environment. In the crystal, the components are linked into a three-dimensional framework by intermolecular O—H...O and N—H...O interactions.

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