scholarly journals (Acetato-κO)(aqua-κO)(2-{bis[(3,5-dimethyl-1H-pyrazol-1-yl-κN2)methyl]amino-κN}ethanol-κO)nickel(II) perchlorate monohydrate

2012 ◽  
Vol 68 (4) ◽  
pp. m399-m399 ◽  
Author(s):  
Jia Zhou ◽  
Mouhai Shu
Keyword(s):  
Water Molecule ◽  
Three Dimensional ◽  
Site Occupancy ◽  
Title Complex ◽  
The Other ◽  
Acetate Anion ◽  
Tetradentate Ligand ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
A Site

In the structure of the title complex, [Ni(CH3CO2)(C14H23N5O)(H2O)]ClO4·H2O, the NiIIcentre has a distorted octahedral environment defined by one O and three N atoms derived from the tetradentate ligand, and two O atoms, one from a water molecule and the other from an acetate anion. The molecules are connected into a three-dimensional architecture by O—H...O hydrogen bonds. The perchlorate anion is disordered over two positions; the major component has a site-occupancy factor of 0.525 (19).

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 Dichloridobis[2-(pyridin-2-yl-κN)-1H-benzimidazole-κN 3]nickel(II) monohydrate

IUCrData ◽  
2020 ◽  
Vol 5 (1) ◽  
Author(s):  
Connor S. MacNeil ◽  
Aloice O. Ogweno ◽  
Stephen O. Ojwach ◽  
Paul G. Hayes
Keyword(s):  
Water Molecule ◽  
Three Dimensional ◽  
Nickel Atom ◽  
Title Complex ◽  
Water Molecules ◽  
Chelating Ligands ◽  
Complex Molecules ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Divalent Nickel

In the title complex, [NiCl2(C12H9N3)2]·H2O, a divalent nickel atom is coordinated by two 2-(pyridin-2-yl)-1H-benzimidazole ligands in a slightly distorted octahedral environment defined by four N donors of two N,N′-chelating ligands, along with two cis-oriented anionic chloride donors. The title complex crystallized with a water molecule disordered over two positions. In the crystal, a combination of O—H...Cl, O—H.·O and N—H...Cl hydrogen bonds, together with C—H...O, C—H...Cl and C—H...π interactions, links the complex molecules and the water molecules to form a supramolecular three-dimensional framework. The title complex is isostructural with the cobalt(II) dichloride complex reported previously [Das et al. (2011). Org. Biomol. Chem. 9, 7097–7107].

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 Poly[[tetraaquabis(μ3-5-carboxybenzene-1,2,4-tricarboxylato)tricadmium] tetrahydrate]

2012 ◽  
Vol 68 (6) ◽  
pp. m801-m802
Author(s):  
Yong-Yan Jia ◽  
Xin-Nian Xie ◽  
Huai-Xia Yang
Keyword(s):  
Water Molecule ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Dimensional Structure ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Three Dimensional Structure ◽  
The Third ◽  
Distorted Octahedral

There are three independent CdII ions in the title complex, {[Cd3(C10H3O8)2(H2O)4]·4H2O} n , one of which is coordinated by four O atoms from three 5-carboxybenzene-1,2,4-tricarboxylate ligands and by two water molecules in a distorted octahedral geometry. The second CdII ion is coordinated by five O atoms from four 5-carboxybenzene-1,2,4-tricarboxylate ligands and by one water molecule also in a distorted octahedral geometry while the third CdII ion is coordinated by five O atoms from three 5-carboxybenzene-1,2,4-tricarboxylate ligands and by one water molecule in a highly distorted octahedral geometry. The 5-carboxybenzene-1,2,4-tricarboxylate ligands bridge the CdII ions, resulting in the formation of a three-dimensional structure. Intra- and intermolecular O—H...O hydrogen bonds are present throughout the three-dimensional structure.

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 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.

scholarly journals Crystal structure of aquadioxido(2-{[(2-oxidoethyl)imino]methyl}phenolato-κ3O,N,O′)molybdenum(VI)

2015 ◽  
Vol 71 (2) ◽  
pp. m35-m36 ◽  
Author(s):  
Sowmianarayanan Parimala ◽  
Parasuraman Selvam
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Three Dimensional ◽  
Title Complex ◽  
Donor Group ◽  
Distorted Octahedral Coordination ◽  
Axial Ligands ◽  
Dimensional Network ◽  
Distorted Octahedral

The mononuclear title complex, [Mo(C9H9NO2)O2(H2O)], contains an Mo(VI) atom in a distorted octahedral coordination sphere defined by an Mo=O and an Mo—(OH2) bond to the axial ligands and two Mo—O bonds to phenolate and alcoholate O atoms, another Mo=O bond and one Mo—N bond to the imino N atom in the equatorial plane. The five-membered metalla-ring shows an envelope conformation. In the crystal, individual molecules are connected into a layered arrangement parallel to (100) by means of O—H...O hydrogen bonds involving the water molecule as a donor group and the O atoms of neighbouring complexes as acceptor atoms. These interactions lead to the formation of a three-dimensional network.

Structure Studies on Order Assemblage of CadmiumII Isophthalicacid Benzimidazole Complexes

2015 ◽  
Vol 713-715 ◽  
pp. 2872-2875
Author(s):  
Guang Hui Wang ◽  
Da Jun Song ◽  
Hong Xiao Tian ◽  
Jian Gao ◽  
Yu Liu
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Metal Complexes ◽  
Electrostatic Interaction ◽  
Supramolecular Structure ◽  
Significant Contribution ◽  
Three Dimensional ◽  
The Other ◽  
Distorted Octahedral ◽  
Octahedral Configuration

The CadmiumII Isophthalicacid Benzimidazole complex [Cd2(C8H4O4)2 (C7H6N2)4(H2O)3], Triqua-bis (isophthalicacidato-O,O')-tetra (benzimidazole) bis (CadmiumII),the CdII atom is coordinated by two isophthalicacid anions and two benzimidazole and one water molecule in a distorted octahedral configuration with six-coordinations geometry. And one isophthalicacid ligand chelates to the CdII atom through its one carboxylic O atoms, but the other isophthalicacid ligand chelates to the CdII atom through its two carboxylic O atoms. The same as another CdII atom. So we get a Binuclear CdII metal complexe. The fact clearly suggests not so much significant contribution from the electrostatic interaction in the Cd-O bonding in bidentate Binuclear CdII metal complexes as we gotten in mononuclear MnII metal complexes. Adjacent complex link to each other via hydrogen bonds forming the three-dimensional supramolecular structure.

scholarly journals Chloridobis(ethane-1,2-diamine)(4-fluoroaniline)cobalt(III) dichloride monohydrate

IUCrData ◽  
2019 ◽  
Vol 4 (3) ◽  
Author(s):  
A. SubbiahPandi ◽  
Y. AaminaNaaz ◽  
C. Maharaja Mahalakshmi ◽  
K. Anbalagan
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Equatorial Plane ◽  
Complex Cation ◽  
Three Dimensional ◽  
Octahedral Environment ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Graph Set ◽  
Diamine Ligands

The hydrated title salt, [CoCl(C6H6FN)(C2H8N2)2]Cl2·H2O, comprises of one chloridobis(ethane-1,2-diamine)(4-fluoroaniline)cobalt(III) cation, two chloride counter-anions and a water molecule of crystallization. The CoIII ion has a distorted octahedral environment and is surrounded by four N atoms in the equatorial plane, with a fifth N atom and one Cl− ligand occupying the axial positions. One of the methylene C groups in one of the ethane-1,2-diamine ligands is disordered over two set of sites in a 0.832 (10):0.168 (10) ratio. In the crystal, the complex cation, the two counter-anions and the water molecule of crystallization are linked via N—H...Cl, O—H...Cl and C—H...Cl hydrogen bonds, generating rings with R 4 2(8), R 2 1(6), R 4 2(10) and R 2 2(6) graph-set motifs within a three-dimensional network.

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