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 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.

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.

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 aqua[(E)-N′-(5-bromo-2-oxidobenzylidene-κO)benzohydrazidato-κ2O,N′]dioxidomolybdenum(VI) dimethylformamide monosolvate

2015 ◽  
Vol 71 (6) ◽  
pp. 702-705 ◽  
Author(s):  
Radhika Sudheer ◽  
M. Sithambaresan ◽  
N. R. Sajitha ◽  
E. Manoj ◽  
M. R. Prathapachandra Kurup
Keyword(s):  
Crystal Structure ◽  
Crystal Packing ◽  
Solvent Molecule ◽  
Membered Ring ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Ligand ◽  
Aromatic Rings ◽  
Centroid Distance ◽  
Distorted Octahedral

The title compound, [Mo(C14H9BrN2O2)O2(H2O)]·C3H7NO, has a distorted octahedral geometry around the Mo atom, with the two terminal oxide groups lyingcisto each other. The two aromatic rings present in the molecule are almost coplanar, forming a dihedral angle of 1.4 (2)°. The five-membered ring involving the metal atom is puckered, with an amplitudeQ= 0.358 (2) Å and ϕ = 204.1 (6)°. In the crystal, pairs of inversion-related molecules are linked by O—H...N hydrogen bonds. An O—H...O hydrogen bond connects the water ligand to the dimethylformamide solvent molecule. The crystal packing also features π–π [centroid–centroid distance of 3.688 (2) Å] and C—H...O interactions.

scholarly journals Crystal structure of the tetraaquabis(thiocyanato-κN)cobalt(II)–caffeine–water (1/2/4) co-crystal

2017 ◽  
Vol 73 (7) ◽  
pp. 980-982
Author(s):  
H. El Hamdani ◽  
M. El Amane ◽  
C. Duhayon
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Complex Molecules ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Distorted Octahedral

In the structure of the title compound [systematic name: tetraaquabis(thiocyanato-κN)cobalt(II)–1,3,7-trimethyl-1,2,3,6-tetrahydro-7H-purine-2,6-dione–water (1/2/4)], [Co(NCS)2(H2O)4]·2C8H10N4O2·4H2O, the cobalt(II) cation lies on an inversion centre and is coordinated in a slightly distorted octahedral geometry by the oxygen atoms of four water molecules and two N atoms of twotrans-arranged thiocyanate anions. In the crystal, the complex molecules interact with the caffeine molecules through O—H...N, O—H...O and C—H...S hydrogen bonds and π–π interactions [centroid-to-centroid distance = 3.4715 (5) Å], forming layers parallel to theabplane, which are further connected into a three-dimensional network by O—H...O and O—H...S hydrogen bonds involving the non-coordinating water molecules.

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 Tetraaqua(1,10-phenanthroline-5,6-dione-κ2N,N′)cobalt(II) dinitrate

2009 ◽  
Vol 65 (6) ◽  
pp. m653-m653 ◽  
Author(s):  
Wen-Juan Shi
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Rotational Symmetry ◽  
Complex Cation ◽  
Octahedral Geometry ◽  
The Other ◽  
Distorted Octahedral Geometry ◽  
Asymmetric Unit ◽  
Distorted Octahedral ◽  
Nitrate Anions

The asymmetric unit of the title compound, [Co(C12H6N2O2)(H2O)4](NO3)2, consists of a CoIIcomplex cation with twofold rotational symmetry and two nitrate anions. The CoIIatom has a distorted octahedral geometry with the basal plane occupied by two 1,10-phenanthroline-5,6-dione N atoms and two aqua O atoms, with the other two aqua ligands in axial positions. The aqua ligands are involved in extensive hydrogen bonding to nitrate and 1,10-phenanthroline-5,6-dione O atoms.

scholarly journals Pentaaqua(1H-benzimidazole-5,6-dicarboxylato-κN3)cobalt(II) pentahydrate

2009 ◽  
Vol 65 (6) ◽  
pp. m702-m702 ◽  
Author(s):  
Wen-Dong Song ◽  
Hao Wang ◽  
Shi-Jie Li ◽  
Pei-Wen Qin ◽  
Shi-Wei Hu
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Organic Ligand ◽  
Octahedral Geometry ◽  
Mononuclear Complex ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Hydrogen Bonding Interactions ◽  
Distorted Octahedral

In the title mononuclear complex, [Co(C9H4N2O4)(H2O)5]·5H2O, the CoIIatom exhibits a distorted octahedral geometry involving an N atom of a 1H-benzimidazole-5,6-dicarboxylate ligand and five water O atoms. A supramolecular network is generated through intermolecular O—H...O hydrogen-bonding interactions involving the coordinated and uncoordinated water molecules and the carboxyl O atoms of the organic ligand. An intermolecular N—H...O hydrogen bond is also observed.

scholarly journals Crystal structure of a mononuclear RuIIcomplex with a back-to-back terpyridine ligand: [RuCl(bpy)(tpy–tpy)]+

2015 ◽  
Vol 71 (9) ◽  
pp. 1017-1021 ◽  
Author(s):  
Francisca N. Rein ◽  
Weizhong Chen ◽  
Brian L. Scott ◽  
Reginaldo C. Rocha
Keyword(s):  
Crystal Structure ◽  
Crystal Packing ◽  
Bidentate Ligand ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Stacking Interactions ◽  
Bite Angle ◽  
Distorted Octahedral ◽  
The Mean

We report the structural characterization of [6′,6′′-bis(pyridin-2-yl)-2,2′:4′,4′′:2′′,2′′′-quaterpyridine](2,2′-bipyridine)chloridoruthenium(II) hexafluoridophosphate, [RuCl(C10H8N2)(C30H20N6)]PF6, which contains the bidentate ligand 2,2′-bipyridine (bpy) and the tridendate ligand 6′,6′′-bis(pyridin-2-yl)-2,2′:4′,4′′:2′′,2′′′-quaterpyridine (tpy–tpy). The [RuCl(bpy)(tpy–tpy)]+monocation has a distorted octahedral geometry at the central RuIIion due to the restricted bite angle [159.32 (16)°] of the tridendate ligand. The Ru-bound tpy and bpy moieties are nearly planar and essentially perpendicular to each other with a dihedral angle of 89.78 (11)° between the least-squares planes. The lengths of the two Ru—N bonds for bpy are 2.028 (4) and 2.075 (4) Å, with the shorter bond being opposite to Ru—Cl. For tpy–tpy, the mean Ru—N distance involving the outer N atomstransto each other is 2.053 (8) Å, whereas the length of the much shorter bond involving the central N atom is 1.936 (4) Å. The Ru—Cl distance is 2.3982 (16) Å. The free uncoordinated moiety of tpy–tpy adopts atrans,transconformation about the interannular C—C bonds, with adjacent pyridyl rings being only approximately coplanar. The crystal packing shows significant π–π stacking interactions based on tpy–tpy. The crystal structure reported here is the first for a tpy–tpy complex of ruthenium.

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