scholarly journals Molecular structure of fac-[Mo(CO)3(DMSO)3]

2021 ◽  
Vol 77 (5) ◽  
pp. 583-587
Author(s):  
Benedict J. Elvers ◽  
Christian Fischer ◽  
Carola Schulzke
Keyword(s):  
Dimethyl Sulfoxide ◽  
Three Dimensional ◽  
Carbonyl Carbon ◽  
Carbonyl Ligand ◽  
Complex Molecules ◽  
Triclinic Space Group ◽  
Carbonyl Ligands ◽  
Distorted Octahedral ◽  
Ft Ir ◽  
Ir Bands

The title compound, tricarbonyltris(dimethyl sulfoxide)molybdenum, [Mo(C2H6OS)3(CO)3] or fac-[Mo(CO)3(DMSO)3], crystallizes in the triclinic space group P\overline{1} with two molecules in the unit cell. The geometry around the central molybdenum is slightly distorted octahedral and the facial isomer is found exclusively. The packing within the crystal is stabilized by three-dimensional non-classical intermolecular hydrogen-bonding contacts between individual methyl substituents of dimethyl sulfoxide and the oxygen atoms of either another dimethyl sulfoxide or a carbonyl ligand on adjacent complex molecules. The observed bond lengths in the carbonyl ligands and between carbonyl carbon atoms and molybdenum are correlated to the observed FT–IR bands for the carbonyl stretches and compared to respective metrical parameters of related complexes.

scholarly journals Synthesis, Spectral and Thermal Studies, and Crystal Structure of cis-Bis(4-methylimidazole)bis(picolinato)copper(II) [Cu(pic)2(4-MeIm)2]

2006 ◽  
Vol 61 (10) ◽  
pp. 1217-1221 ◽  
Author(s):  
Zerrin Heren ◽  
Cem Keser ◽  
C. Cüneyt Ersanli ◽  
O. Zafer Yeşilel ◽  
Nazan Ocak
Keyword(s):  
Thermal Studies ◽  
X Ray Diffraction ◽  
Complex Molecules ◽  
Triclinic Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Distorted Octahedral ◽  
Ft Ir ◽  
In Cis ◽  
Hydrogen Bondings

The mixed-ligand picolinato (pic) complex of Cu(II) with 4-methylimidazole (4-MeIm), [Cu(pic)2(4-MeIm)2], was synthesized and characterized by elemental analysis, magnetic susceptibility, spectroscopic methods (UV/vis and FT-IR) and X-ray diffraction. In the slightly distorted octahedral cis-bis(4-methylimidazole)bis(picolinato)copper(II) complex, the pic ligands are coordinated to the Cu(II) ion as bidentate N,O-donors forming chelate rings. The 4-MeIm ligands are N-coordinated in cis positions. The complex crystallizes in the triclinic space group p̅1 with unit cell parameters a = 9.204(5), b = 9.498(5), c = 13.095(5) Å , α = 90.395(5), β = 101.687(5), γ = 112.291(5)° and Z = 2. Hydrogen bondings and C-H ··· π interactions occur between picolinato and methylimidazole ligands of neighboring complex molecules. The thermal decomposition of the complex is described.

scholarly journals fac-Bromido/chlorido(0.50/0.50)[3-carbamoyl-1-(1,10-phenanthrolin-2-ylmethyl)pyridinium-κ2 N,N′]tricarbonylmanganese(I) 0.49-bromide 0.51-chloride methanol monosolvate

IUCrData ◽  
2018 ◽  
Vol 4 (1) ◽  
Author(s):  
Kosei Wadayama ◽  
Tsugiko Takase ◽  
Dai Oyama
Keyword(s):  
Three Dimensional ◽  
Title Complex ◽  
Asymmetric Unit ◽  
Counter Anion ◽  
Carbonyl Ligand ◽  
Carbonyl Ligands ◽  
Octahedral Environment ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Chloride Ligand

The title complex, [MnBr0.50Cl0.50(C19H15N4O)(CO)3]Br0.49Cl0.51·CH3OH, exhibits substitutional disorder of the halogen ligand in the asymmetric unit, with almost the same occupancies for Br and Cl. The MnI atom is coordinated in a distorted octahedral environment by three carbonyl C atoms, the disordered X − ligand (X = Br or Cl) and two N atoms from the 1,10-phenanthroline ligand bearing a nicotinamide pendant moiety. The cation displays a fac configuration of the carbonyl ligands. There is another disorder between the chloride ligand and its trans-situated carbonyl ligand, and between Cl− and Br− at the position of the counter-anion. In the crystal, intermolecular C—H...X, N—H...X, O—H...X (X = Br or Cl) and C—H...O hydrogen bonds lead to the formation of a three-dimensional network.

scholarly journals Crystal structure of bromido-fac-tricarbonyl[5-(3,4,5-trimethoxyphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ2N2,N3]rhenium(I) methanol monosolvate

2017 ◽  
Vol 73 (4) ◽  
pp. 484-487
Author(s):  
Marharyta I. Kharlova ◽  
Kseniia O. Piletska ◽  
Kostiantyn V. Domasevitch ◽  
Alexander V. Shtemenko
Keyword(s):  
Hydrogen Bonds ◽  
Double Layers ◽  
Carbonyl Ligand ◽  
Complex Molecules ◽  
Carbonyl Ligands ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral ◽  
Triazole Ligand ◽  
Solvent Molecules ◽  
Centrosymmetric Dimers

In the title compound, [ReBr(C16H16N4O3)(CO)3]·CH3OH, the ReIatom adopts a distorted octahedral coordination sphere with a facial arrangement of the three carbonyl ligands. Two N atoms of the chelating 5-(3,4,5-trimethoxyphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole ligand and two carbonyl ligands define the equatorial plane of the complex, with the third carbonyl ligand and the bromide ligand in axial positions. Conventional hydrogen bonds including the methanol solvent molecules assemble the complex molecules through mutual N—H...O—H...Br links [N...O = 2.703 (3) Å and O...Br = 3.255 (2) Å] into centrosymmetric dimers, whereas weaker C—H...O and C—H...Br hydrogen bonds [C...O = 3.215 (3)–3.390 (4) Å and C...Br = 3.927 (3) Å] connect the dimers into double layers parallel to the (111) plane.

scholarly journals Crystal structure of aqua-trans-bis(dimethyl sulfoxide-κO)(pyridine-2,6-dicarboxylato-κ3O2,N,O6)nickel(II)

2017 ◽  
Vol 73 (5) ◽  
pp. 777-779
Author(s):  
Chen Liu ◽  
Ashley C. Felts ◽  
Daisuke Takahashi ◽  
Wesley S. Kinden ◽  
Khalil A. Abboud
Keyword(s):  
Crystal Structure ◽  
Water Molecule ◽  
Dimethyl Sulfoxide ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Title Complex ◽  
Complex Molecules ◽  
Coordination Environment ◽  
Dimensional Network ◽  
Distorted Octahedral

In the title complex, [Ni(C7H3NO4)(C2H6OS)2(H2O)], the NiIIcation is situated on a twofold rotation axis and exhibits a distorted octahedral NO5coordination environment defined by a tridentate pyridine-2,6-dicarboxylic acid dianion (dpa2−), two dimethyl sulfoxide (DMSO) molecules, and a water molecule. In the crystal, the complex molecules are linked by O—H...O and C—H...O hydrogen bonds into a three-dimensional network whereby DMSO molecules from neighboring complexes overlap to form layers parallel to (001), alternating with layers of NiII–dpa2−moieties. The title complex is isotypic with its cobalt(II) analogue.

scholarly journals Crystal structure of (2-amino-7-methyl-4-oxidopteridine-6-carboxylato-κ3O4,N5,O6)aqua(1,10-phenanthroline-κ2N,N′)zinc trihydrate

2015 ◽  
Vol 71 (9) ◽  
pp. m162-m163
Author(s):  
Siddhartha S. Baisya ◽  
Baidyanath Ghosh ◽  
Parag S. Roy
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Carboxylate Ligand ◽  
Water Molecules ◽  
Coordination Geometry ◽  
Complex Molecules ◽  
Distorted Octahedral Coordination ◽  
Dimensional Network ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

In the title compound, [Zn(C8H5N5O3)(C12H8N2)(H2O)]·3H2O, a tridentate 2-amino-7-methyl-4-oxidopteridine-6-carboxylate ligand, a bidentate ancillary 1,10-phenanthroline (phen) ligand and a water molecule complete a distorted octahedral coordination geometry around the ZnIIatom. The pterin ligand forms two chelate rings. The phen and pterin ring systems are nearly perpendicular [dihedral angle = 85.16 (5)°]. Classical N—H...O, O—H...N and O—H...O hydrogen bonds and weak C—H...O hydrogen bonds link the complex molecules and lattice water molecules into a three-dimensional network. π–π stacking contacts are observed as well, with centroid-to-centroid distances of 3.5679 (14), 3.7004 (14), 3.6641 (15), 3.6974 (13) and 3.3412 (12) Å.

Structure and Fluorescence Properties of a Novel Supramolecular Zinc Complex

2008 ◽  
Vol 63 (12) ◽  
pp. 1357-1360 ◽  
Author(s):  
Gang Chen
Keyword(s):  
Hydrothermal Reaction ◽  
Three Dimensional ◽  
Free Ligand ◽  
Distorted Octahedral Geometry ◽  
Monoclinic Space Group ◽  
Ligand Complex ◽  
Complex Molecules ◽  
Hydrogen Bonding Interactions ◽  
Distorted Octahedral ◽  
Cell Dimensions

Hydrothermal reaction of Zn(NO3)2 · 6H2O and 2-hydroxypyridine-3-carboxylic acid afforded a novel supramolecular complex, [Zn(C6H4NO3)2(H2O)2] (1). The complex has been characterized by macroanalysis, IR spectra, and thermogravimetric and differential thermal analysis (TG/DTA). Single crystal X-ray analysis shows that complex 1 crystallizes in the monoclinic space group P21/c with the cell dimensions a = 7.534(6), b = 12.289(1), c = 7.534(6) Å, β = 100.51°, V = 685.85(1) Å3, and Z = 2. The six-coordinated Zn atom is in a severely distorted octahedral geometry. The complex molecules are assembled via strong O-H· · ·O and N-H· · ·O hydrogen bonding interactions into a three-dimensional supramolecular framework. Compared with the free ligand, complex 1 exhibits strong fluorescence in the solid state at room temperature.

scholarly journals Crystal structure of tetraaquabis(1,3-dimethyl-2,6-dioxo-3,7-dihydro-1H-purin-9-ido)magnesium

2015 ◽  
Vol 71 (3) ◽  
pp. 321-323 ◽  
Author(s):  
Yabin Shi ◽  
Benyong Lou
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Three Dimensional ◽  
Imidazole Ring ◽  
Title Complex ◽  
Complex Molecules ◽  
Octahedral Environment ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Graph Set

The title complex, [Mg(C7H7N4O2)2(H2O)4], lies across an inversion centre and the MgIIatom is coordinated in a slightly distorted octahedral environment by four aqua ligands in the equatorial sites and two 1,3-dimethyl-2,6-dioxo-3,7-dihydro-1H-purin-9-ide ligands, through imidazole ring N atoms, in the axial sites. An intramolecular O—H...O hydrogen bond forms anS(7) graph-set motif. In the crystal, O—H...O and O—H...N hydrogen bonds link complex molecules forming a three-dimensional network incorporatingR42(8) andR22(18) graph-set motifs.

Bis[1,3-bis(1H-benzimidazol-2-yl)benzene-κN 3]bis(nitrato-κ2 O,O′)cadmium(II) dihydrate

2007 ◽  
Vol 63 (11) ◽  
pp. m2752-m2752 ◽  
Author(s):  
Fa-Yan Meng ◽  
Yi-Ming Zhang ◽  
Seik Weng Ng
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Complex Molecules ◽  
Solvent Water ◽  
Dimensional Network ◽  
Distorted Octahedral

In the title complex, [Cd(NO3)2(C20H14N4)2]·2H2O, the CdII ion, which lies on a crystallographic twofold axis, is bis-chelated by two nitrate ligands and is coordinated by one tertiary N atom from each of two 1,3-bis(1H-benzimidazol-2-ylmethyl)benzene ligands in a distorted octahedral geometry. In the crystal structure, complex molecules and solvent water molecules are connected via hydrogen bonds to form a three-dimensional network.

scholarly journals Poly[tris(μ-4,4′-bipyridine-κ2N:N′)bis(dimethyl sulfoxide-κO)tetrakis(thiocyanato-κN)dicobalt(II)]

2014 ◽  
Vol 70 (7) ◽  
pp. m265-m266
Author(s):  
Surasak Kaenket ◽  
Pongthipun Phuengphai ◽  
Chaveng Pakawatchai ◽  
Sujittra Youngme
Keyword(s):  
Dimethyl Sulfoxide ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Distorted Octahedral Geometry ◽  
Supramolecular Framework ◽  
Void Space ◽  
Bridging Ligands ◽  
Guest Molecules ◽  
Terminal Ligand ◽  
Distorted Octahedral

The asymmetric unit of the title compound, [Co2(NCS)4(C10H8N2)3(C2H6OS)2]n, consists of one CoIIatom, two thiocyanate anions, one dimethyl sulfoxide molecule and one and a half 4,4′-bipyridine molecules. The half-molecule is completed by inversion symmetry. The CoIIatom is coordinated in a distorted octahedral geometry by two N atoms from two thiocyanate anions, one O atom from dimethyl sulfoxide as a terminal ligand and three N atoms from three 4,4′-bipyridine molecules as bridging ligands linking the cations, with a Co...Co separation of 11.5964 (5) Å. This generates a two-dimensional structure parallel to (-103). A C—H...S hydrogen bond links the layers into a three-dimensional supramolecular framework. The layers are stacked in anABCfashion preventing the occurrence of interlayer void space and hence leading to the absence of lattice solvent and/or organic guest molecules in the structure.

Diacetato[2,6-bis(2-pyridylamino)pyridine]nickel(II)

2006 ◽  
Vol 62 (4) ◽  
pp. m878-m880
Author(s):  
Yin-Qiu Liu ◽  
Xi-Rui Zeng ◽  
Han-Mao Kuang ◽  
Hua-Long Chen ◽  
Qiu-Yan Luo
Keyword(s):  
Pyridine Ring ◽  
Three Dimensional ◽  
Title Complex ◽  
Equatorial Position ◽  
Coordination Geometry ◽  
Complex Molecules ◽  
Distorted Octahedral Coordination ◽  
Dimensional Network ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

The Ni atom in the title complex, [Ni(C2H3O2)2(C15H13N5)] or [Ni(CH3COO)2(tpdaH2)] (tpdaH2 is tripyridyldiamine), has a distorted octahedral coordination geometry formed by the tridentate tpdaH2 ligand and two acetate groups. The tpdaH2 ligand is mer-coordinated, with the N atom of the central pyridine ring in the equatorial position and the N atoms of the peripheral pyridine rings in the axial positions. The remaining three equatorial positions are occupied by the O atoms of two acetate anions. The H atoms of both NH groups of the tpdaH2 ligand are involved in strong hydrogen bonds with O atoms of adjacent complex molecules to form a three-dimensional network.

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