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 Bis(azido-κN)bis[6-(pyridin-2-yl)-1,3,5-triazine-2,4-diamine-κ2N1,N6]manganese(II)

2012 ◽  
Vol 68 (4) ◽  
pp. m427-m427
Author(s):  
Kun-Miao Wang ◽  
Zhi-Hua Liu ◽  
Qi Zheng ◽  
Chun-Bo Liu ◽  
Ming-Ming Miao
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Title Complex ◽  
Supramolecular Framework ◽  
Hydrogen Bonding Interactions ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Diamine Ligands

In the title complex, [Mn(N3)2(C8H8N6)2], the complete molecule is generated by the application of twofold symmetry, and is in a distorted octahedral environment, coordinated by four N atoms of two bidentate 6-(pyridin-2-yl)-1,3,5-triazine-2,4-diamine ligands and two N atoms from two azide anions. The two chelated 6-(pyridin-2-yl)-1,3,5-triazine-2,4-diamine ligands form a dihedral angle 74.75 (5)°. The mononuclear molecules are alternatively linked into layers parallel to theacplaneviaN—H...N hydrogen bonds. Adjacent layers are connected into a three-dimensional supramolecular framework by futher N—H...N hydrogen-bonding interactions.

scholarly journals Diaquabis{4-[(pyridin-2-yl)methylideneamino]benzenesulfonato-κ2 N,N′}nickel(II) tetrahydrate

2012 ◽  
Vol 68 (6) ◽  
pp. m809-m810 ◽  
Author(s):  
Chao-Zhu Li ◽  
Xue-Ren Huang
Keyword(s):  
Hydrogen Bonding ◽  
Three Dimensional ◽  
Title Complex ◽  
Water Molecules ◽  
Framework Structure ◽  
Distorted Octahedral Environment ◽  
Hydrogen Bonding Interactions ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Coordinated Water

In the title complex, [Ni(C12H9N2O3S)2(H2O)2]·4H2O, the NiII ion is coordinated by four N atoms from two bidentate chelating 4-[(pyridin-2-yl)methylideneamino]benzenesulfonate ligands and two O atoms from cis-related water molecules in a slightly distorted octahedral environment [Ni—N = 2.071 (3)–2.121 (3) Å and Ni—O = 2.071 (2) and 2.073 (3) Å]. In the crystal, the coordinated water molecules and the four water molecules of solvation are involved in intermolecular O—H...O hydrogen-bonding interactions with water and sulfonate O-atom acceptors, giving a three-dimensional framework structure.

scholarly journals Bis(2,2′-bipyridine)[1,9-bis(diphenylphosphanyl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium]ruthenium(II) hexafluoridophosphate dibromide dichloromethane disolvate monohydrate

2013 ◽  
Vol 69 (12) ◽  
pp. m640-m641 ◽  
Author(s):  
Congcong Shang ◽  
Laure Vendier ◽  
Pierre Sutra ◽  
Alain Igau
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Solvent Molecules ◽  
Cl Atom

In the cation of the title complex, [Ru(C31H32N3P2)(C10H8N2)2](PF6)(Br)2·2CH2Cl2·H2O, the ruthenium ion is coordinated in a distorted octahedral geometry by two 2,2′-bipyridine (bpy) ligands and a chelating cationicN-diphenylphosphino-1,3,4,6,7,8-hexahydro-2-pyrimido[1,2-a]pyrimidine [(PPh2)2-hpp] ligand. The tricationic charge of the complex is balanced by two bromide and one hexafluoridophosphate counter-anions. The compound crystallized with two molecules of dichloromethane (one of which is equally disordered about a Cl atom) and a water molecule. In the crystal, one of the Br anions bridges two water moleculesviaO—H...Br hydrogen bonds, forming a centrosymmetric diamond-shapedR42(8) motif. The cation and anions and the solvent molecules are linkedviaC—H...F, C—H...Br, C—H...Cl and C—H...O hydrogen bonds, forming a three-dimensional network.

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.

(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 bis(acetylacetonato-κ2O,O′)(tetrahydrofuran-κO)(trifluoromethanesulfonato-κO)iron(III)

2015 ◽  
Vol 71 (10) ◽  
pp. 1165-1168
Author(s):  
Casseday P. Richers ◽  
Jeffery A. Bertke ◽  
Thomas B. Rauchfuss
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Site Occupancy ◽  
Title Complex ◽  
Two Dimensional ◽  
Hydrogen Bonding Interactions ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Length Range ◽  
A Site

The mononuclear title complex, [Fe(CF3O3S)(C5H7O2)2(C4H8O)] or [Fe(acac)2(OTf)(THF)] (acac = acetylacetonate; OTf = trifluoromethanesulfonate; THF = tetrahydrofuran), (I), consists of one six-coordinate Fe3+atom in a slightly distorted octahedral environment [Fe—O bond-length range = 1.9517 (11)–2.0781 (11) Å]. The triflate ligand was found to be disordered over two sets of sites, with a site-occupancy ratio of 0.622 (16):0.378 (16). Weak intermolecular C—H...O and C—H...F hydrogen-bonding interactions generate a two-dimensional supramolecular structure lying parallel to (100). This is only the second crystal structure reported of a mononuclear bis(acetylacetonato)iron(III) complex.

scholarly journals Crystal structure of bis(thiocyanato-κS)bis(thiourea-κS)mercury(II)

2015 ◽  
Vol 71 (2) ◽  
pp. m28-m29
Author(s):  
A. Baskaran ◽  
K. Rajarajan ◽  
M. NizamMohideen ◽  
P. Sagayaraj
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Title Complex ◽  
First Report ◽  
Coordinate Geometry ◽  
Ring Motif

In the title complex, [Hg(NCS)2(CH4N2S)2], the HgIIatom is four-coordinated having an irregular four-coordinate geometry composed of four thione S atoms of two thiocyanate groups and two thiourea groups. The S—Hg—S angles are 172.02 (9)° for thetrans-thiocyanate S atoms and 90.14 (5)° for thecis-thiourea S atoms. The molecular structure is stabilized by an intramolecular N—H...S hydrogen bond, which forms anS(6) ring motif. In the crystal, molecules are linked by a number of N—H...N and N—H...S hydrogen bonds, forming a three-dimensional framework. The first report of the crystal structure of this compound appeared in 1966 [Korczynski (1966).Rocz. Chem.40, 547–569] with an extremely highRfactor of 17.2%, and no mention of how the data were collected.

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 catena-Poly[[[triaquacobalt(II)]-μ-10-methylphenothiazine-3,7-dicarboxylato] monohydrate]

2012 ◽  
Vol 68 (4) ◽  
pp. m402-m403
Author(s):  
Yun-Xia Hu ◽  
Yan Zhou ◽  
Fang-Ming Wang ◽  
Wen-Wei Zhang
Keyword(s):  
Hydrogen Bonding ◽  
Three Dimensional ◽  
Water Molecules ◽  
Hydrogen Bonding Interactions ◽  
Octahedral Environment ◽  
Carboxylate Groups ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Benzene Rings ◽  
Interchain Interactions

The polymeric title compound, {[Co(C15H9NO4S)(H2O)3]·H2O}n, consists of chains along [001] made up from Co2+ions bridged by 10-methylphenothiazine-3,7-dicarboxylate anions. The Co2+ion, coordinated by three O atoms from two different carboxylate groups and three water molecules, displays a distorted octahedral environment. In the crystal, π–π interchain interactions, with centroid–centroid distances of 3.656 (2) and 3.669 (2) Å between the benzene rings of the ligands, assemble the chains into sheets parallel to (100). O—H...O hydrogen-bonding interactions between the coordinating water molecules and carboxylate O atoms link the sheets into a three-dimensional network.

Poly[aqua[μ3-(pyridin-1-ium-3,5-diyl)diphosphonato-κ3O:O′:O′′][μ2-(pyridin-1-ium-3,5-diyl)diphosphonato-κ2O:O′]calcium(II)]

2012 ◽  
Vol 68 (2) ◽  
pp. m41-m44 ◽  
Author(s):  
Magdalena Wilk ◽  
Jan Janczak ◽  
Veneta Videnova-Adrabinska
Keyword(s):  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Calcium Ion ◽  
Three Dimensional ◽  
Organic Ligand ◽  
Two Dimensional ◽  
Diphosphonic Acid ◽  
One Dimensional ◽  
Octahedral Environment ◽  
Distorted Octahedral

The rigid organic ligand (pyridine-3,5-diyl)diphosphonic acid has been used to create the title novel three-dimensional coordination polymer, [Ca(C5H6NO6P2)2(H2O)]n. The six-coordinate calcium ion is in a distorted octahedral environment, formed by five phosphonate O atoms from five different (pyridin-1-ium-3,5-diyl)diphosphonate ligands, two of which are unique, and one water O atom. Two crystallographically independent acid monoanions,L1 andL2, serve to link metal centres using two different coordination modes,viz.η2μ2and η3μ3, respectively. The latter ligand,L2, forms a strongly undulated two-dimensional framework parallel to the crystallographicbcplane, whereas the former ligand,L1, is utilized in the formation of one-dimensional helical chains in the [010] direction. The two sublattices ofL1 andL2 interweave at the Ca2+ions to form a three-dimensional framework. In addition, multiple O—H...O and N—H...O hydrogen bonds stabilize the three-dimensional coordination network. Topologically, the three-dimensional framework can be simplified as a very unusual (2,3,5)-connected three-nodal net represented by the Schläfli symbol (4·82)(4·88·10)(8).

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