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 Poly[[tetra-μ-cyanido-κ8C:N-dodeca-cyanido-κ12C-tris(N,N-dimethylformamide-κO)tris(methanol-κO)tris(3,4,7,8-tetramethyl-1,10-phenanthroline-κ2N,N′)trimanganese(II)ditungstate(V)] dihydrate]

2014 ◽  
Vol 70 (5) ◽  
pp. m170-m171
Author(s):  
Fei-Lin Yang ◽  
Dan Yang
Keyword(s):  
Water Molecule ◽  
Title Compound ◽  
Chain Structure ◽  
Octahedral Geometry ◽  
The Other ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Distorted Octahedral

The asymmetric unit of the title compound, {[Mn3{W(CN)8}2(C16H16N2)3(C3H7NO)3(CH3OH)3]·2H2O}n, consists of three [Mn(N,N-dimethylformamide)(methanol)(3,4,7,8-tetramethyl-1,10-phenanthroline)]2+cations, two [W(CN)8]3−anions and two water molecules. Each water molecule is disordered over three sets of sites, with a refined occupancy ratio of 0.310 (9):0.275 (9):0.415 (9) for one molecule and 0.335 (9):0.288 (9):0.377 (9) for the other molecule. The MnIIatoms exhibit a distorted octahedral geometry, while the WVatoms adopt a distorted square-antiprismatic geometry. The MnIIand WVatoms are linked alternatively through cyanide groups, forming a tetranuclear 12-atom rhombic metallacycle. Adjacent metallacycles are further connected by μ2-bridging cyanide anions, generating a 3,2-chain structure running parallel to [101]. Interchain π–π interactions are observed [centroid–centroid distances = 3.763 (3) and 3.620 (2) Å].

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 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.

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 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 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.

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 Bis[tetrakis(pyridin-2-yl)methane-κ3N,N′,N′′]cobalt(II) tetrakis(thiocyanato-κN)cobaltate(II) methanol monosolvate

2014 ◽  
Vol 70 (3) ◽  
pp. m96-m97 ◽  
Author(s):  
Yuya Tsunezumi ◽  
Kouzou Matsumoto ◽  
Shinya Hayami ◽  
Akira Fuyuhiro ◽  
Satoshi Kawata
Keyword(s):  
Complex Anion ◽  
Complex Cation ◽  
Solvent Molecule ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Distorted Octahedral Geometry ◽  
Weak Hydrogen Bond ◽  
Tetrahedral Geometry ◽  
Distorted Tetrahedral Geometry ◽  
Distorted Octahedral

The title complex, [Co(C21H16N4)2][Co(NCS)4]·CH3OH, consists of one [Co{C(py)4}2]2+complex cation [C(py)4= tetrakis(pyridin-2-yl)methane], one [Co(NCS)4]2−complex anion and a methanol solvent molecule. In the cation, the CoIIatom is coordinated by six N atoms of two C(py)4ligands in a distorted octahedral geometry. In the anion, the CoIIatom is coordinated by the N atoms of four NCS−ligands in a distorted tetrahedral geometry. The methanol molecule is disordered and was modelled over three orientations (occupancies 0.8:0.1:0.1). There are two weak hydrogen-bond-like interactions between the methanol solvent molecule and NCS−ligands of the anion [O...S = 3.283 (3) and 3.170 (2) Å].

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