scholarly journals Crystal structure oftrans-(1,8-dibutyl-1,3,6,8,10,13-hexaazacyclotetradecane-κ4N3,N6,N10,N13)bis(5-methyltetrazolato-κN)nickel(II) from synchrotron data

2015 ◽  
Vol 71 (2) ◽  
pp. 173-175 ◽  
Author(s):  
Dae-Woong Kim ◽  
Jong Won Shin ◽  
Jin Hong Kim ◽  
Dohyun Moon
Keyword(s):  
Hydrogen Bond ◽  
Bond Length ◽  
Macrocyclic Ligand ◽  
Complex Molecule ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Square Planar ◽  
Distorted Octahedral

The structure of the title compound, [Ni(C2H3N4)2(C16H38N6)], has been characterized from synchrotron radiation. The asymmetric unit consists of one half of the NiIIcomplex molecule, which is related to the other half-molecule by an inversion center. The NiIIion is coordinated by four secondary N atoms of the macrocyclic ligand in a square-planar fashion in the equatorial plane and by two N atoms of the 5-methyltetrazolate anions in axial positions, resulting in a tetragonally distorted octahedral geometry. The average equatorial Ni—N bond length [2.060 (8) Å] is shorter than the axial Ni—N bond length [2.2183 (11) Å]. An intramolecular N—H...N hydrogen bond between the secondary amine N atom of the macrocyclic ligand and the non-coordinating N atom of the 5-methyltetrazolate ion stabilizes the molecular structure. Moreover, an intermolecular N—H...N hydrogen bond between the macrocyclic ligand and 5-methyltetrazolate group gives rise to a supramolecular sheet structure parallel to thebcplane.

scholarly journals Crystal structure oftrans-(1,8-dibutyl-1,3,6,8,10,13-hexaazacyclotetradecane-κ4N3,N6,N10,N13)bis(perchlorato-κO)copper(II) from synchrotron data

2015 ◽  
Vol 71 (2) ◽  
pp. 136-138 ◽  
Author(s):  
Dae-Woong Kim ◽  
Jong Won Shin ◽  
Dohyun Moon
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Bond Length ◽  
Macrocyclic Ligand ◽  
Three Dimensional ◽  
Distorted Octahedral Geometry ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Dimensional Network ◽  
Distorted Octahedral

The structure of the title compound, [Cu(ClO4)2(C16H38N6)] has been determined from synchrotron data, λ = 0.62988 Å. The asymmetric unit comprises one half of the CuIIcomplex as the CuIIcation lies on an inversion center. It is coordinated by the four secondary N atoms of the macrocyclic ligand and the mutuallytransO atoms of the two perchlorate ions in a tetragonally distorted octahedral geometry. The average equatorial Cu—N bond length is significantly shorter than the average axial Cu—O bond length [2.010 (4) and 2.569 (1) Å, respectively]. Intramolecular N—H...O hydrogen bonds between the macrocyclic ligand and uncoordinating O atoms of the perchlorate ligand stabilize the molecular structure. In the crystal structure, an extensive series of intermolecular N—H...O and C—H...O hydrogen bonds generate a three-dimensional network.

scholarly journals Diaquabis(5-carboxy-2-ethyl-1H-imidazole-4-carboxylato-κ2N3,O4)cobalt(II) trihydrate

2012 ◽  
Vol 68 (4) ◽  
pp. m373-m374
Author(s):  
Dong-Liang Miao ◽  
Shi-Jie Li ◽  
Wen-Dong Song ◽  
Shao-Wei Tong ◽  
Seik Weng Ng
Keyword(s):  
Hydrogen Bond ◽  
Carboxy Group ◽  
Octahedral Geometry ◽  
Carboxyl Groups ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Inversion Center ◽  
Lattice Water ◽  
Carboxylate Anions ◽  
Distorted Octahedral

In the title compound, [Co(C7H7N2O4)2(H2O)2]·3H2O, the CoIIcation, located on an inversion center, isN,O-chelated by two 5-carboxy-2-ethyl-1H-imidazole-4-carboxylate anions and further coordinated by two water molecules in a distorted octahedral geometry. Only one carboxy group of the anion is deprotonated, and the two carboxyl groups of the same anion are linkedviaan intramolecular O—H...O hydrogen bond. One of the lattice water molecules is located on an inversion center, its H atom equally disordered over two positions. One of H atoms of another lattice water molecules is also equally disordered over two sites. Water H atoms and the amino H atom all are involved in an intermolecular hydrogen-bonded network in the crystal.

scholarly journals Poly[di-μ9-citrato-tetrasodiumzinc]

2013 ◽  
Vol 69 (12) ◽  
pp. m672-m672 ◽  
Author(s):  
Yu-Hong Ma ◽  
Hong-Wei Yang ◽  
Jing-Tuan Hao ◽  
Pi-Zhuang Ma ◽  
Ting Yao
Keyword(s):  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Pyramidal Geometry ◽  
Carboxylate Groups ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Square Pyramidal Geometry

In the title compound, [Na4Zn(C6H5O7)2]n, the ZnIIion lies on an inversion center and is coordinated by six O atoms from two citrate ligands, forming a distorted octahedral geometry. There are two crystallographically independent Na+cations in the asymmetric unit. One Na+cation exhibits a distorted square-pyramidal geometry defined by five O atoms from four citrate ligands. The other Na+cation is surrounded by six O atoms from five citrate ligands in a distorted octahedral geometry. The Na+cations are bridged by citrate carboxylate groups, forming a layer parallel to (100). The layers are further assembled into a three-dimensional network with the [Zn(citrate)2]4−building units as `pillars'; O—H...O hydrogen bonds also stabilize the structure.

scholarly journals Aqua[2,2′-(propane-1,3-diyl)bis(5-carboxy-1H-imidazole-4-carboxylato)-κ4N3,O4:N3′,O4′](pyridine-κN)cobalt(II)–4,4′-bipyridine (1/1)

2012 ◽  
Vol 68 (8) ◽  
pp. m1109-m1110
Author(s):  
Wei Liu ◽  
Xia Li
Keyword(s):  
Crystal Packing ◽  
Octahedral Geometry ◽  
Mirror Plane ◽  
Distorted Octahedral Geometry ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Bond Lengths ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Distorted Octahedral

In the title compound, [Co(C13H10N4O8)(C5H5N)(H2O)]·C10H8N2, the asymmetric unit comprises half a CoIIcomplex located on a mirror plane and half a cocrystallized molecule of 4,4′-bipyridine located on an inversion center. The CoIIion is six coordinate, with distorted octahedral geometry, ligated by two N atoms and two O atoms from a 2,2′-(propane-1,3-diyl)bis(5-carboxy-1H-imidazole-4-carboxylate) dianion, one N atom from a pyridine molecule and one coordinating water molecule. The Co—O bond lengths range from 2.076 (2) to 2.1441 (15) Å, while the Co—N bond lengths are 2.138 (3) and 2.1515 (17) Å. A two-dimensional network of N—H...O and O—H...N hydrogen bonds stabilizes the crystal packing. There are π–π interactions between the bipyridine and imidazole rings [centroid–centroid distance = 3.7694 (4) Å]. The propane-1,3-diyl group is disordered over two conformations, with refined occupancies of 0.755 (8) and 0.245 (8).

scholarly journals Bis[2-(2-hydroxymethyl)pyridine-κ2N,O](pivalato-κO)copper(II)

2012 ◽  
Vol 68 (8) ◽  
pp. m1055-m1055 ◽  
Author(s):  
M. Mobin Shaikh ◽  
Veenu Mishra ◽  
Priti Ram ◽  
Anil Birla
Keyword(s):  
Hydrogen Bond ◽  
Crystal Packing ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Distorted Octahedral Geometry ◽  
Pyridine Ligands ◽  
Hydrogen Bond Interactions ◽  
Distorted Octahedral

The structure of the centrosymmetric title complex, [Cu(C5H9O2)2(C6H7NO)2], has the CuIIatom on a centre of inversion. The CuIIatom is six-coordinate with a distorted octahedral geometry, defined by the N and O atoms of the chelating 2-(2-hydroxymethyl)pyridine ligands and two carboxylate O atoms from two monodentate pivalate ions. The crystal packing is stabilized by intermolecular C—H...O and intramolecular O—H...O hydrogen-bond interactions.

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 Diaquabis(2,2′-bi-1H-imidazole)manganese(II) benzene-1,4-dicarboxylate

2012 ◽  
Vol 68 (6) ◽  
pp. m829-m829
Author(s):  
Lining Yang ◽  
Yanxiang Zhi ◽  
Jiahui Hei ◽  
Yanqing Miao
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Centroid Distance ◽  
Distorted Octahedral

The asymmetric unit of the title compound, [Mn(C6H6N4)2(H2O)2](C8H4O4), contains one-half each of the centrosymmetric cation and anion. The MnII atom is coordinated by four N atoms [Mn—N = 2.2168 (14) and 2.2407 (14) Å] from two 2,2′-biimidazole ligands and two water molecules [Mn—O = 2.2521 (14) Å] in a distorted octahedral geometry. Intermolecular N—H...O and O—H...O hydrogen bonds consolidate the crystal packing, which also exhibits π–π interactions between five-membered rings, with a centroid–centroid distance of 3.409 (2) Å.

scholarly journals fac-[1,2-Bis(pyridin-4-yl)ethane-κN]tricarbonyl(1,10-phenanthroline-κ2N,N′)rhenium(I) hexafluoridophosphate acetonitrile monosolvate

2014 ◽  
Vol 70 (7) ◽  
pp. m278-m279 ◽  
Author(s):  
Silvana Guilardi ◽  
Antonio Otavio Toledo Patrocinio ◽  
Sinval Fernandes de Sousa ◽  
Javier Ellena
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Solvent Molecule ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Asymmetric Unit ◽  
Carbonyl Ligands ◽  
Distorted Octahedral ◽  
Phenanthroline Ligand ◽  
Solvent Molecules

The asymmetric unit of the title compound, [Re(C12H8N2)(C12H12N2)(CO)3]PF6.·CH3CN, contains one cation, one hexafluoridophosphate anion and one acetonitrile solvent molecule. The ReIion is coordinated by two N atoms from the 1,10-phenanthroline ligand and one N atom from the 1,2-bis(pyridin-4-yl)ethane ligand [mean Re—N = 2.191 (15) Å] and by three carbonyl ligands [mean Re—C = 1.926 (3) Å] in a distorted octahedral geometry. The electrostatic forces and weak C—H...F(O) hydrogen bonds pack cations and anions into the crystal with voids of 82 Å3, which are filled by solvent molecules. The crystal packing exhibits short intermolecular O...O distance of 2.795 (5) Å between two cations related by inversion.

scholarly journals Bis(2,2′,2′′-nitrilotriacetamide-κ3O,N,O′)nickel(II) dinitrate tetrahydrate

2013 ◽  
Vol 69 (2) ◽  
pp. m89-m89 ◽  
Author(s):  
Xiao-Hui Deng ◽  
Qi-Jun Nie ◽  
Feng-Juan Zhu
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Inversion Center ◽  
Lattice Water ◽  
Distorted Octahedral ◽  
Nitrate Anions

In the title compound, [Ni(C6H12N4O3)2](NO3)2·4H2O, the NiIIcation is located on an inversion center and isN,O,O′-chelated by two nitrilotris(acetamide) molecules in a distorted octahedral geometry. The complex cations, nitrate anions and lattice water molecules are connected by O—H...O and N—H...O hydrogen bonds, forming a three-dimensional supramolecular structure.

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].

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