scholarly journals Crystal structure ofcis-aquabis(2,2′-bipyridine-κ2N,N′)chloridochromium(III) tetrachloridozincate determined from synchrotron data

2016 ◽  
Vol 72 (3) ◽  
pp. 280-282 ◽  
Author(s):  
Dohyun Moon ◽  
Keon Sang Ryoo ◽  
Jong-Ha Choi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Chloride Anion ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Bond Lengths ◽  
Distorted Octahedral

The structure of the title salt, [CrCl(C10H8N2)2(H2O)][ZnCl4], has been determined from synchrotron data. The CrIIIion is coordinated by four N atoms from two 2,2′-bipyridine (bipy) ligands, one O atom from a water molecule and a chloride anion in acisarrangement, displaying a distorted octahedral geometry. The tetrahedral [ZnCl4]2−anion is slightly distorted owing to its involvement in O—H...Cl hydrogen bonding with the coordinating water molecule. The Cr—N(bipy) bond lengths are in the range 2.0485 (13)–2.0632 (12) Å, while the Cr—Cl and Cr—(OH2) bond lengths are 2.2732 (6) and 1.9876 (12) Å, respectively. In the crystal, molecules are stacked along theaaxis.

scholarly journals Crystal structure of tetraaqua(5,5′-dimethyl-2,2′-bipyridyl-κ2N,N′)iron(II) sulfate

2014 ◽  
Vol 70 (12) ◽  
pp. 544-546 ◽  
Author(s):  
Yamine Belamri ◽  
Fatima Setifi ◽  
Bojana M. Francuski ◽  
Sladjana B. Novaković ◽  
Setifi Zouaoui
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Coordination Bond ◽  
Octahedral Geometry ◽  
The Other ◽  
Distorted Octahedral Geometry ◽  
Cationic Complex ◽  
Centroid Distance ◽  
Distorted Octahedral ◽  
Coordination Bonds

In the title compound, [Fe(C12H12N2)(H2O)4]SO4, the central FeIIion is coordinated by two N atoms from the 5,5′-dimethyl-2,2′-bipyridine ligand and four water O atoms in a distorted octahedral geometry. The Fe—O coordination bond lengths vary from 2.080 (3) to 2.110 (3) Å, while the two Fe—N coordination bonds have practically identical lengths [2.175 (3) and 2.177 (3) Å]. The chelating N—Fe—N angle of 75.6 (1)° shows the largest deviation from an ideal octahedral geometry; the other coordination angles deviate from ideal values by 0.1 (1) to 9.1 (1)°. O—H...O hydrogen bonding between the four aqua ligands of the cationic complex and four O-atom acceptors of the anion leads to the formation of layers parallel to theabplane. Neighbouring layers further interact by means of C—H...O and π–π interactions involving the laterally positioned bipyridine rings. The perpendicular distance between π–π interacting rings is 3.365 (2) Å, with a centroid–centroid distance of 3.702 (3) Å.

scholarly journals Poly[aqua[μ-1,2-bis(pyridin-4-yl)ethene-κ2N:N′][μ-5-(diphenylphosphinoyl)isophthalato-κ3O1,O1′:O3]nickel(II)]

2012 ◽  
Vol 68 (8) ◽  
pp. m1058-m1059
Author(s):  
Peng Zhang ◽  
Yu-Jie Liu ◽  
Kai-Hui Li ◽  
Guang-Rui Yang ◽  
Chong-Zhen Mei
Keyword(s):  
Hydrogen Bonding ◽  
Water Molecule ◽  
Title Compound ◽  
Supramolecular Structure ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Distorted Octahedral

In the title compound, [Ni(C20H13O5P)(C12H10N2)(H2O)]n, the NiIIcation is coordinated by three O atoms from two 5-(diphenylphosphinoyl)isophthalate anions, two N atoms from two 1,2-bis(pyridin-4-yl)ethene ligands and one water molecule in a distorted octahedral geometry. Both 1,2-bis(pyridin-4-yl)ethene and 5-(diphenylphosphinoyl)isophthalate bridge the NiIIcations to form polymeric layers parallel to (001). In the crystal, O—H...O hydrogen bonding links layers into a three-dimensional supramolecular structure.

The first three-dimensional FeIII–SrIIheterometallic coordination polymer: poly[[diaquatetrakis(μ3-pyridine-2,3-dicarboxylato)diiron(III)strontium(II)] dihydrate]

2015 ◽  
Vol 71 (10) ◽  
pp. 903-907 ◽  
Author(s):  
Yongfeng Yang ◽  
Tao Li ◽  
Yanmei Chen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Coordination Polymer ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Coordination Geometry ◽  
One Dimensional ◽  
Distorted Octahedral

The title compound, poly[[diaqua-1κ2O-tetrakis(μ3-pyridine-2,3-dicarboxylato)-2:1:2′κ10N,O2:O2′,O3:O3′;2:1:2′κ8O3:O3′:N,O2-diiron(III)strontium(II)] dihydrate], {[Fe2Sr(C7H3O4)4(H2O)2]·2H2O}n, which has triclinic (P\overline{1}) symmetry, was prepared by the reaction of pyridine-2,3-dicarboxylic acid, SrCl2·6H2O and Fe(OAc)2(OH) (OAc is acetate) in the presence of imidazole in water at 363 K. In the crystal structure, the pyridine-2,3-dicarboxylate (pydc2−) ligand exhibits μ3-η1,η1:η1:η1and μ3-η1,η1:η1,η1:η1coordination modes, bridging two FeIIIcations and one SrIIcation. The SrIIcation, which is located on an inversion centre, is eight-coordinated by six O atoms of four pydc2−ligands and two water molecules. The coordination geometry of the SrIIcation can be best described as distorted dodecahedral. The FeIIIcation is six-coordinated by O and N atoms of four pydc2−ligands in a slightly distorted octahedral geometry. Each FeIIIcation bridges two neighbouring FeIIIcations to form a one-dimensional [Fe2(pydc)4]nchain. The chains are connected by SrIIcations to form a three-dimensional framework. The topology type of this framework istfj. The structure displays O—H...O and C—H...O hydrogen bonding.

Poly[di-μ2-chlorido-μ4-hexamethylenetetramine-bis[chlorido(methanol-κO)cadmium(II)]]

2007 ◽  
Vol 63 (11) ◽  
pp. m2751-m2751 ◽  
Author(s):  
Yun Chen ◽  
Yu-Ling Wang ◽  
Shao-Ming Ying ◽  
Shuang-Lian Cai
Keyword(s):  
Hydrogen Bonding ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Chloride Anion ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Methanol Molecule ◽  
Distorted Octahedral Geometry ◽  
Polymeric Structure ◽  
Distorted Octahedral

In the title complex, [Cd2Cl4(C6H12N4)(CH3OH)2] n , the hexamethylenetetramine (hmta) ligand is located on a twofold rotation axis and bridges four CdII ions through its four N atoms. Each CdII atom is coordinated, with a distorted octahedral geometry, by two N atoms from hmta ligands, two μ2-chloride anions, one terminal chloride anion and one methanol molecule. The μ2-chloride anions and hmta molecules link the CdII cations to form the three-dimensional polymeric structure. O—H...Cl hydrogen bonding between the methanol ligands and the terminal chloride anions is observed in the three-dimensional polymeric structure.

(μ3-Benzene-1,3,5-tricarboxylato)tris[aqua(N,N,N′,N′′,N′′-pentamethyldiethylenetriamine)nickel(II)] tris(perchlorate) 4.25-hydrate

2007 ◽  
Vol 63 (11) ◽  
pp. m2860-m2861
Author(s):  
Zdeněk Trávníček ◽  
Jaromír Marek ◽  
Šárka Čermáková
Keyword(s):  
Crystal Structure ◽  
Secondary Structure ◽  
Water Molecule ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Distorted Octahedral Geometry ◽  
Water Solvent ◽  
Distorted Octahedral ◽  
Intermolecular Contacts ◽  
Solvent Molecules

In the title complex, [Ni3(C9H3O6)(C9H23N3)3(H2O)3](ClO4)3·4.25H2O, the three NiII centres are bridged by a benzene-1,3,5-tricarboxylate(3−) anion (btc). Each of the metal centres is coordinated by three N atoms of a tridentate N,N,N′,N′′,N′′-pentamethyldiethylenetriamine ligand (pmdien), two O atoms of the btc ligand and one water molecule in a distorted octahedral geometry. The secondary structure is stabilized by a variety of O—H...O hydrogen bonds and C—H...O interactions that serve to connect the complex cations, perchlorate anions and water solvent molecules. Variability of intermolecular contacts stabilizing the crystal structure leads to disorder of part of O atoms of two perchlorate anions between two positions with occupancies 0.632 (5) and 0.337 (7).

scholarly journals Crystal structure of poly[aqua[μ-1,1′-(9,9-dimethyl-9H-fluoren-2,7-diyl)di-1H-imidazole](μ-naphthalene-1,4-dicarboxylato)nickel(II)]

2014 ◽  
Vol 70 (9) ◽  
pp. m324-m325
Author(s):  
Hengye Zou ◽  
Yanjuan Qi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Carboxylate Anions ◽  
Distorted Octahedral

In the title compound, [Ni(C12H6O4)(C21H18N4)(H2O)]n, the NiIIcation is coordinated by three carboxylate O atoms of two naphthalene-1,4-dicarboxylate anions, one water molecule and two N atoms of two 1,1′-(9,9-dimethyl-9H-fluoren-2,7-diyl)di-1H-imidazole (DFDI) ligands, giving rise to a slightly distorted octahedral geometry. The NiIIions are linked by the DFDI ligands into chains, which are further connected by the carboxylate anions into double chains that elongate in the theb-axis direction. These double chains are linked by centrosymmetric pairs of O—H...O hydrogen bonds into layers parallel to (10-1). The asymmetric unit consists of one crystallographically independent NiIIcation, one carboxylate and one DFDI ligand, as well as of one water molecule, all of them located in general positions.

scholarly journals Bis(2-amino-1,3-benzothiazol-3-ium) bis(7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato)cadmate hexahydrate

2012 ◽  
Vol 68 (6) ◽  
pp. m818-m818
Author(s):  
Fan Zhang ◽  
Qiu-Yue Lin ◽  
Ling-Ling Chen ◽  
Jun-Gang Ke
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Complex Anion ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Inversion Center ◽  
Lattice Water ◽  
Distorted Octahedral

In the structure of the title complex, (C7H7N2S)2[Cd(C8H8O5)2]·6H2O, the CdII atom is located on an inversion center and is O,O′,O′′-chelated by two symmetry-related 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate ligands in a distorted octahedral geometry. The 2-aminobenzothiazolium cation links with the Cd complex anion via N—H...O hydrogen bonding. Extensive O—H...O and N—H...O hydrogen bonds involving lattice water molecules occur in the crystal structure.

scholarly journals Syn and anti conformers of diammonium aquabis(malonato)oxidovanadate(IV) in an anhydrate crystal

2018 ◽  
Vol 74 (5) ◽  
pp. 664-667
Author(s):  
Keiji Ohno ◽  
Takumi Yoshida ◽  
Akira Nagasawa ◽  
Takashi Fujihara
Keyword(s):  
Hydrogen Bonding ◽  
Water Molecule ◽  
Complex Anion ◽  
Octahedral Geometry ◽  
The Other ◽  
Distorted Octahedral Geometry ◽  
Asymmetric Unit ◽  
Distorted Octahedral ◽  
The Difference ◽  
Complex Anions

The asymmetric unit of the title anhydrate compound, (NH4)2[VO(C3H2O4)2(H2O)], consists of two independent complex anions and four ammonium cations. In the complex anions, the VIV atoms are each coordinated by two malonate ligands, one water molecule and one oxide O atom in a distorted octahedral geometry. The equatorial plane is formed by the malonate O atoms, while the axial positions are occupied by water and oxide O atoms. The difference between the two independent complexes is the relative conformation of the malonate ligands. The two ligands in one complex anion are in a syn conformation, while in the other they adopt an anti conformation. In the crystal, the complex anions interact with the counter-cations and adjacent anions through O—H...O, N—H...O and C—H...O hydrogen bonds. Stacks of alternating layers consisting of either anti or syn isomers, formed with the aid of the hydrogen bonding, are observed. DFT calculations for the anti and syn isomers show a similar thermodynamic stability to each other. The crystal used for this analysis was an inversion twin with the ratio of the twin components being 0.270 (13):0.730 (13).

scholarly journals Crystal structure of ammonium bis(pyridine-2,6-dicarboxylato-κ3O,N,O′)chromate(III) from synchrotron data

2015 ◽  
Vol 71 (2) ◽  
pp. 210-212 ◽  
Author(s):  
Dohyun Moon ◽  
Jong-Ha Choi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Octahedral Geometry ◽  
Ammonium Cation ◽  
Distorted Octahedral Geometry ◽  
Intermolecular Hydrogen Bonds ◽  
Bond Lengths ◽  
Distorted Octahedral

The structure of the title compound, (NH4)[Cr(pydc)2] (pydc is pyridine-2,6-dicarboxylate, C7H3NO4), has been determined from synchrotron data. The CrIIIion and the N atom of the ammonium cation are located on a crystallographic fourfold rotoinversion axis (-4). The CrIIIcation is coordinated by four O atoms and the two N atoms of two meridional pydc ligands, displaying a distorted octahedral geometry. The Cr—N and Cr—O bond lengths are 1.9727 (15) and 1.9889 (9) Å, respectively. The crystal structure is stabilized by intermolecular hydrogen bonds involving the N–H groups of the ammonium cation and pyridine C–H groups as donors and the non-coordinating carbonyl O atoms as acceptors.

scholarly journals catena-Poly[(triaquazinc)-μ-furan-2,5-dicarboxylato-κ3O2:O2,O2′]

2012 ◽  
Vol 68 (4) ◽  
pp. m500-m500 ◽  
Author(s):  
Ya-Feng Li ◽  
Yue Gao ◽  
Yue Xu ◽  
Xiao-Lin Qin ◽  
Wen-Yuan Gao
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Octahedral Geometry ◽  
The Other ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Site Symmetry ◽  
Carboxylate Group ◽  
Hydrogen Bonding Interactions ◽  
Distorted Octahedral

In the crystal structure of the title compound, [Zn(C6H2O5)(H2O)3]n, an infinite chain is formed along [001] by linking of the Zn(H2O)3entities with one carboxylate group of the furan-2,5-dicarboxylate ligand. Adjacent chains are linked by Owater—H...O hydrogen-bonding interactions. The Zn(H2O)3O3polyhedron displays a distorted octahedral geometry with one weak Zn—Ocarboxylatecoordination [2.433 (8) A°] and two water molecules located in axial positions. Except for one of the axial water molecules and two adjacent H atoms, the other atoms (including H atoms) possess site symmetrym.

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