Dichlorido(N,N′-dibenzylideneethane-1,2-diamine-κ2 N,N′)[(2,2-dimethyl-1,3-dioxolane-4,5-diyl)bis(diphenylmethanolato)-κ2 O,O′]titanium(IV)

2007 ◽  
Vol 63 (11) ◽  
pp. m2842-m2843 ◽  
Author(s):  
Chien-An Chen ◽  
Liang-Ying Chiang ◽  
Han-Mou Gau
Keyword(s):  
Molecular Structure ◽  
Title Compound ◽  
Chloride Ions ◽  
Octahedral Geometry ◽  
Metal Center ◽  
Distorted Octahedral Geometry ◽  
Titanium Metal ◽  
Bond Lengths ◽  
Distorted Octahedral ◽  
Chloride Ligands

The title compound, [TiCl2(C31H28O4)(C16H16N2)], is a titanium(IV) complex of the bidentate 2,2-dimethyl-α,α,α′,α′-tetraphenyl-1,3-dioxolane-4,5-dimethanolate (TADDOLate) ligand containing also two chloride ions and a bidentate neutral N,N′-dibenzylideneethane-1,2-diamine ligand. The molecular structure has a distorted octahedral geometry around the titanium metal center. The Ti—N bond lengths of 2.246 (2) and 2.2476 (17) Å are long, indicating weak bonding between the titanium(IV) metal center and the imine N atoms. Though the two chloride ligands are trans to each other, they bend away from the Ti–TADDOLate bonds with a Cl—Ti—Cl angle of 163.96 (3)°.

scholarly journals Dicarbonyl(η5-cyclopentadienyl)(hexamethylenetetramine-κN1)iron(II) tetrafluoridoborate

2012 ◽  
Vol 68 (8) ◽  
pp. m1077-m1077
Author(s):  
Cyprian M. M'thiruaine ◽  
Holger B. Friedrich ◽  
Bernard Omondi
Keyword(s):  
Title Compound ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Asymmetric Unit ◽  
Apical Position ◽  
Bond Lengths ◽  
Coordination Sites ◽  
Cyclopentadienyl Ligand ◽  
Distorted Octahedral

In the structure of the title compound, [Fe(C5H5)(C6H12N4)(CO)2]BF4, the arrangement around the FeIIatom corresponds to that of a three-legged piano stool. The cyclopentadienyl ligand occupies three coordination sites of the apical position in a η5fashion, while two CO ligands and one N atom of the hexamethylenetetramine ligand occupy the remaining coordination sites to complete a distorted octahedral geometry. The asymmetric unit consists of two sets of crystallographically independent cations and anions with the r.m.s. deviations of the overlay of non-H atoms of each pair being 0.081 and 0.120 Å, respectively. The Fe—N bond lengths are 2.0459 (15) and 2.0490 (14) Å, while the Fe—Cp(centroid) distances are 1.7257 (3) and 1.7246 (3) Å. One of the anions displays disorder, with the F atoms having occupancies of 0.58 (4) and 0.42 (4).

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.

Structure cristalline et moléculaire du cis-dithiocyanatobis(phénanthroline-1,10)mercure(II), Hg(SCN)2(C12H8N2)2

1974 ◽  
Vol 52 (16) ◽  
pp. 2923-2927 ◽  
Author(s):  
André L. Beauchamp ◽  
Bernard Saperas ◽  
Roland Rivest
Keyword(s):  
Heavy Atom ◽  
Octahedral Geometry ◽  
Van Der Waals Interactions ◽  
Distorted Octahedral Geometry ◽  
Triclinic Space Group ◽  
Bond Lengths ◽  
R Factor ◽  
Distorted Octahedral ◽  
Phenanthroline Ligands ◽  
Heavy Atom Method

The compound cis-Hg(SCN)2(Phen)2 belongs to the triclinic space group [Formula: see text] with a = 13.252(5), b = 11.077(4), c = 8.443(3) Å, α = 105.20(3), β = 83.25 (3), γ = 90.92(3)°, and Z = 2. The structure was solved by the heavy atom method and refined on 1718 independent reflections to an R factor of 0.069. The crystal contains discrete molecules, in which mercury is coordinated to four nitrogen atoms from two phenanthroline molecules and to two sulfur atoms from thiocyanate groups. These donor atoms define a distorted octahedral geometry around mercury. The Hg—N bond lengths are in the range 2.42(2)–2.52(2) Å, whereas the Hg—S bonds are equal to 2.622(8) and 2.582(8) Å. The molecules are packed in layers parallel to the (110) planes and the layers are held together by normal van der Waals interactions. Within the layers, the packing of the complex is characterized by parallel stacking of phenanthroline ligands at distances of ∼3.4 Å. The terminal nitrogen atoms of the thiocyanate groups are uncoordinated.

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 Tris(ethylenediamine-κ2N,N′)cadmium hexafluoridogermanate

2012 ◽  
Vol 68 (4) ◽  
pp. m396-m397
Author(s):  
Guo-Ming Wang ◽  
Zeng-Xin Li ◽  
Pei Wang
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Supramolecular Network ◽  
Distorted Octahedral ◽  
Axis Passing

In the title compound, [Cd(C2H8N2)3](GeF6), the CdIIatom, lying on a 32 symmetry site, is coordinated by six N atoms from three ethylenediamine (en) ligands in a distorted octahedral geometry. The Ge atom also lies on a 32 symmetry site and is coordinated by six F atoms. The en ligand has a twofold rotation axis passing through the mid-point of the C—C bond. The F atom is disordered over two sites with equal occupancy factors. In the crystal, the [Cd(en)3]2+cations and [GeF6]2−anions are connected through N—H...F hydrogen bonds, forming a three-dimensional supramolecular network.

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 Crystal structure of the coordination compound of triiodidomethyltin(IV) with 2,2′-bipyridine, MeSnI3·bipy

2016 ◽  
Vol 72 (1) ◽  
pp. 17-20
Author(s):  
Hans Reuter ◽  
Martin Reichelt
Keyword(s):  
Chelate Ring ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Orthorhombic Space Group ◽  
Methyl Group ◽  
Bond Lengths ◽  
Distorted Octahedral ◽  
Bipyridine Ligand ◽  
Twisting Angle ◽  
Van Der Waals Contacts

The title compound, (2,2′-bipyridine-κ2N,N′)triiodidomethyltin(IV), [Sn(CH3)I3(C10H8N2)], crystallizing in the non-centrosymmetric orthorhombic space groupPca21as an inversion twin, represents one of the few structurally characterized coordination compounds of an organotin(IV) trihalide with 2,2′-biypridine. Its distorted octahedral geometry shows a meridional arrangement of the I atoms and the methyl group is in-plane with the five-membered chelate ring. Asymmetric bonding of the biypridine ligand to the tin(IV) atom is reflected by different Sn—N bond lengths [2.268 (4) Åversus2.293 (4) Å] and caused by the statictranseffect of the methyl group. Sn—I bond lengths show some differences with respect to their orientation to the methyl group or the bipyridine ligand, respectively. Angular distortions in the coordination sphere of the SnIVatom mainly arise from the large I atoms. Distortion of the 2,2′-bipyridine ligand as a result of its coordination to the SnIVatom are described by the twisting angle of 2.5 (2)° between the least-squares planes of the two pyridine rings, as well as by the angle of 6.2 (2)° between the two lines through the pyridine-connecting C atoms and thepara-orientated C atoms. Directional intermolecular interactions are restricted to weak I...H van der Waals contacts.

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 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 [(Pyridine-2,6-dicarboxylato)copper(II)]-μ-(pyridine-2,6-dicarboxylato)-[bis(ethylenediamine)copper(II)]-μ-(pyridine-2,6-dicarboxylato)-[(pyridine-2,6-dicarboxylato)copper(II)] ethylenediamine monosolvate tetrahydrate

2012 ◽  
Vol 68 (6) ◽  
pp. m830-m831 ◽  
Author(s):  
Amir Shokooh Saljooghi ◽  
Hadi Amiri Rudbari ◽  
Francesco Nicolò ◽  
Maliheh Zahmati ◽  
Fatemeh Delavar Mendi
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Distorted Octahedral Geometry ◽  
Acetate Dihydrate ◽  
Carboxylate Groups ◽  
Distorted Octahedral

The title compound, [Cu3(C7H3NO4)4(C2H8N2)2]·C2H8N2·4H2O, was obtained by the reaction of copper(II) acetate dihydrate with pyridine-2,6-dicarboxylic acid (H2dipic) and ethylenediamine (en) in an aqueous solution. All of the CuII atoms in the trinuclear centrosymmetric title complex are six-coordinated in a distorted octahedral geometry with N2O4 and N4O2 environments for the outer and central CuII atoms, respectively. Various interactions, including numerous O—H...O and C—H...O hydrogen bonds and C—O...π stacking of the pyridine and carboxylate groups [O...centroid distances = 3.669 (2) and 3.668 (2) Å] are observed in the crystal structure.

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