scholarly journals Dichlorido(5,10,15,20-tetraphenylporphyrinato-κ4 N)antimony(V) hemi{di-μ-chlorido-bis[trichloridoantimonate(III)]} dichloromethane monosolvate

2012 ◽  
Vol 68 (6) ◽  
pp. m717-m718 ◽  
Author(s):  
Raoudha Soury ◽  
Mohamed Sahah Belkhiria ◽  
Habib Nasri ◽  
Masood Parvez
Keyword(s):  
Complex Cation ◽  
Solvent Molecule ◽  
Chloride Ions ◽  
Title Complex ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Counter Anion ◽  
Wide Range ◽  
Solvent Molecules ◽  
Cl Atoms

The asymmetric unit of the title complex, [Sb(C44H28N4)Cl2][Sb2Cl8]0.5·CH2Cl2, is composed of a SbV complex cation wherein the Sb atom is hexacoordinated by four N atoms of the pyrrole rings of the tetraphenylporphyrinate (TPP) ligands and two chloride ions, a half di-μ-chlorido-bis[trichloridoantimonate(III)] counter-anion and a dichloromethane solvent molecule. In the cation, the average Sb—N distance is 2.066 (2) Å, while the Sb—Cl distances are 2.3410 (11) and 2.3639 (12) Å. The central unit of the cation, SbN4C20, is far from being planar, with deviations of atoms from the least-squares plane ranging from −0.110 (4) to 0.124 (4) Å. The Sb—Cl distances in the anion, which is located about an inversion center, lie in the wide range 2.3715 (13)–2.7489 (13) Å, the longest distances being between the Sb and bridging Cl atoms. The crystal structure is stabilized by intermolecular C—H...Cl interactions involving the cations, the anions and the solvent molecules. The solvent molecule is disordered over two orientations in a 0.901 (13):0.099 (13) ratio.

Homoleptic 2,2′-bipyridine metalates(–I) of iron and cobalt, one cocrystallized with an anthracene radical anion and the other with neutral anthracene

2014 ◽  
Vol 70 (8) ◽  
pp. 828-832
Author(s):  
William W. Brennessel ◽  
John E. Ellis
Keyword(s):  
Radical Anion ◽  
Complex Cation ◽  
Solvent Molecule ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Aromatic Donor ◽  
Donor Acceptor ◽  
Anthracene Molecule ◽  
Packing Arrangement ◽  
Solvent Molecules

Homoleptic 2,2′-bipyridine (bipy) metalates of iron and cobalt have been synthesized directly from the corresponding homoleptic anthracene metalates. In the iron structure, bis[([2.2.2]cryptand)potassium(I)] tris(2,2′-bipyridine)ferrate(–I) anthracene(–I), [K(C18H36N2O6)]2[Fe(C10H8N2)3](C14H10), the asymmetric unit contains one potassium complex cation in a general position, the Fe center and one and a half bipy ligands of the ferrate complex on a crystallographic twofold axis that includes the Fe atom, and one half of an anthracene radical anion whose other half is generated by a crystallographic inversion center. The cations and anions are well separated and the geometry about the Fe center is essentially octahedral. In the cobalt structure, ([2.2.2]cryptand)potassium(I) bis(2,2′-bipyridine)cobaltate(–I) anthracene hemisolvate tetrahydrofuran (THF) disolvate, [K(C18H36N2O6)][Co(C10H8N2)2]·0.5C14H10·2C4H8O, the asymmetric unit contains the cation, anion, and both cocrystallized THF solvent molecules in general positions, and one half of a cocrystallized anthracene molecule whose other half is generated by a crystallographic inversion center. The cation and anion are well separated and the ligand planes in the cobaltate anion are periplanar. Each anthracene molecule is midway between and is oriented perpendicular to a pair of symmetry-related bipy ligands such that aromatic donor–acceptor interactions may play a role in the packing arrangement. The lengths of the bonds that connect the bipy rings support the assertion that the ligands are bipy radical anions in the iron structure. However, in the case of cobalt, these lengths are between the known ranges for a bipy radical anion and a bipy dianion, and therefore no conclusion can be made from the crystallography alone. One cocrystallized THF solvent molecule in the cobalt structure was modeled as disordered over three positions with appropriate geometric and thermal restraints, which resulted in a refined component mass ratio of 0.412 (4):0.387 (3):0.201 (3).

scholarly journals Di-μ-chlorido-bis{[2-(di-tert-butylphosphanyl)biphenyl-3-yl-κ2C3,P]palladium(II)} dichloromethane disolvate

2013 ◽  
Vol 69 (2) ◽  
pp. m86-m86 ◽  
Author(s):  
Cedric W. Holzapfel ◽  
Bernard Omondi
Keyword(s):  
Palladium Complex ◽  
Solvent Molecule ◽  
Membered Ring ◽  
The Other ◽  
Coordination Geometry ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Coordination Sites ◽  
Square Planar ◽  
Cl Atoms

The asymmetric unit of the title compound, [Pd2Cl2(C20H26P)2]·2CH2Cl2, contains one half-molecule of the palladium complex and a dichloromethane solvent molecule. In the complex, two PdIIatoms are bridged by two Cl atoms, with the other two coordination sites occupied by a C atom of the biphenyl system and a P atom, resulting in a distorted square-planar coordination geometry of the PdIIatom and a cyclometallated four-membered ring. The Pd2Cl2unit is located about an inversion center. The planes of the rings of the biphenyl system make a dihedral angle of 66.36 (11)°.

scholarly journals 1,1′:4′,1′′-Terphenyl-2′,5′-dicarboxylic acid dimethyl sulfoxide-d6disolvate

2012 ◽  
Vol 68 (4) ◽  
pp. o1192-o1192
Author(s):  
Lucian C. Pop ◽  
Marcelo Preite ◽  
Juan Manuel Manriquez ◽  
Andrés Vega ◽  
Ivonne Chavez
Keyword(s):  
Carboxylic Acid ◽  
Dimethyl Sulfoxide ◽  
Terephthalic Acid ◽  
Solvent Molecule ◽  
Dihedral Angles ◽  
Inversion Center ◽  
Acid Molecule ◽  
Asymmetric Unit ◽  
Carboxylic Acid Groups ◽  
Solvent Molecules

The asymmetric unit of the title solvate, C20H14O4·2C2D6OS, contains half of the substituted terephthalic acid molecule and one solvent molecule. The centroid of the central benzene ring in the acid molecule is coincident with a crystallographic inversion center. Neither the carboxyl nor the phenyl substituents are coplanar with the central aromatic ring, showing dihedral angles of 53.18 (11) and 47.83 (11)°, respectively. The dimethyl sulfoxide solvent molecules are hydrogen bonded to the carboxylic acid groups.

scholarly journals Bis{2-methoxy-6-[(E)-(4-methylbenzyl)iminomethyl]phenolato}palladium(II) chloroform monosolvate

2014 ◽  
Vol 70 (8) ◽  
pp. m289-m290 ◽  
Author(s):  
Hadariah Bahron ◽  
Amalina Mohd Tajuddin ◽  
Wan Nazihah Wan Ibrahim ◽  
Suchada Chantrapromma ◽  
Hoong-Kun Fun
Keyword(s):  
Solvent Molecule ◽  
Title Complex ◽  
The Other ◽  
Planar Geometry ◽  
Inversion Center ◽  
Complex Molecules ◽  
Square Planar ◽  
Solvent Molecules ◽  
Cl Atom ◽  
Full Occupancy

In the title complex, [Pd(C16H16NO2)2]·CHCl3, the PdIIcation lies on an inversion center. One Cl atom of the CHCl3solvent molecule lies on a twofold axis and the C—H group is disordered with equal occupancies about this axis with the other Cl atom in a general position with full occupancy. The PdIIcation is four-coordinate and adopts a square-planar geometryviacoordination of the imine N and phenolic O atoms of the two bidentate Schiff base anions. The N and O atoms of these ligands are mutuallytrans. The plane of the benzene ring makes a dihedral angle of 73.52 (10)° with that of the methoxyphenolate ring. In the crystal, molecules of the PdIIcomplex are arranged into sheets parallel to theacplane, and the chloroform solvent molecules are located in the interstitial areas between the complex molecules. Weak intermolecular C—H...O and C—H...π interactions stabilize the packing.

scholarly journals Dichlorido(5,10,15,20-tetraphenylporphyrinato-κ4N)antimony(V) hexachloridoantimonate(V)

2014 ◽  
Vol 70 (7) ◽  
pp. m256-m257
Author(s):  
Raoudha Soury ◽  
Mohamed Salah Belkhiria ◽  
Michel Giorgi ◽  
Habib Nasri
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Complex Cation ◽  
Chloride Ions ◽  
Maximum Deviation ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Bond Lengths ◽  
Rhombic Distortion

The asymmetric unit of the title compound, [Sb(C44H28N4)Cl2][SbCl6], consists of one half of an antimony(V) tetraphenylporphyrin complex cation and one half of an hexachloridoantimonate(V) anion. In the complex cation, the SbVatom lies on an inversion center and is octahedrally coordinated by four N atoms from a macrocyclic tetraphenylporphyrinate ligand and two chloride ions. The complex cation has approximately a planar core with a maximum deviation of 0.018 (5) Å from the porphyrin mean plane. The average Sb—N distance is 2.062 (11) Å, while the Sb—Cl distance is 2.355 (1) Å. The SbVatom of the anion is also located on an inversion center. The [SbCl6]−octahedron exhibits rhombic distortion characterized by the Sb—Cl bond lengths [2.311 (3), 2.374 (2) and 2.393 (4) Å]. In the crystal, the cations and anions are linked C—H... Cl hydrogen bonds, forming a layer parallel to (211).

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].

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.

One-dimensional CuIand AgIladder-like coordination polymers supported by 2-ethyl-1-(pyridin-3-ylmethyl)-1H-benzimidazole

2013 ◽  
Vol 69 (9) ◽  
pp. 1017-1021
Author(s):  
Liu-cheng Gui ◽  
Guang-ming Liang ◽  
Hua-hong Zou ◽  
Zhong Hou
Keyword(s):  
Hydrogen Bonds ◽  
Metal Ion ◽  
Three Dimensional ◽  
Coordination Geometry ◽  
Tetrahedral Coordination ◽  
Asymmetric Unit ◽  
Counter Anion ◽  
One Dimensional ◽  
Solvent Molecules ◽  
Distorted Tetrahedral Coordination

The title complexes, poly[[bis[μ2-2-ethyl-1-(pyridin-3-ylmethyl)-1H-benzimidazole-κ2N1:N3]copper(I)] tetrafluoroborate acetonitrile monosolvate], {[Cu(C15H15N3)2]BF4·CH3CN}n, (I), and poly[[bis[μ2-2-ethyl-1-(pyridin-3-ylmethyl)-1H-benzimidazole-κ2N1:N3]silver(I)] perchlorate methanol monosolvate], {[Ag(C15H15N3)2]ClO4·CH3OH}n, (II), are isostructural and exhibit one-dimensional ladder-like structures in which each asymmetric unit contains one metal ion (Cu+or Ag+), two 2-ethyl-1-(pyridin-3-ylmethyl)-1H-benzimidazole (bep) ligands, one counter-anion (tetrafluoroborate or perchlorate) and one interstitial molecule (acetonitrile or methanol). Each metal ion exhibits a distorted tetrahedral coordination geometry consisting of two pyridyl and two benzimidazole N atoms from four distinct ligands. Two metal ions are linked by two bep ligands to form a centrosymmetric 18-memberedM2(bep)2metallacycle, while adjacentM2(bep)2metallacycles are further interlinked by another two bep ligands resulting in a ladder-like array. In the extended structure, four adjacent ladder-like arrays are connected together through C—H...F, O—H...O and C—H...O hydrogen bonds between bep ligands, solvent molecules and counter-anions into a three-dimensional supramolecular structure.

scholarly journals Crystal structure of 5-amino-5′-chloro-6-(4-chlorobenzoyl)-8-nitro-2,3-dihydro-1H-spiro[imidazo[1,2-a]pyridine-7,3′-indolin]-2′-one including an unknown solvent molecule

2014 ◽  
Vol 70 (9) ◽  
pp. o971-o972
Author(s):  
R. A. Nagalakshmi ◽  
J. Suresh ◽  
S. Sivakumar ◽  
R. Ranjith Kumar ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Hydrogen Bonds ◽  
Solvent Molecule ◽  
Asymmetric Unit ◽  
Acta Cryst ◽  
Compound C ◽  
Benzoyl Group ◽  
Independent Molecules ◽  
Solvent Molecules ◽  
Intramolecular Hydrogen ◽  
Ring Motif

The asymmetric unit of the title compound, C21H15Cl2N5O4, contains two independent molecules (AandB) having similar conformations. The amine (NH2) group forms an intramolecular hydrogen bond with the benzoyl group, giving anS(6) ring motif in both molecules. The central six-membered rings adopt sofa conformations and the imidazole rings are planar (r.m.s deviations = 0.0150 and 0.0166 Å). The pyridine and imidazole rings are inclined to one another by 3.54 (1) and 3.03 (1)° in moleculesAandB, respectively. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming chains along theaaxis which encloseR22(16) ring motifs. The rings are linked by weak N—H...O and C—H...O hydrogen bonds and C—H...π interactions forming sheets lying parallel to (001). A region of disordered electron density, most probably disordered solvent molecules, occupying voids ofca753 Å3for an electron count of 260, was treated using the SQUEEZE routine inPLATON[Spek (2009).Acta Cryst.D65, 148–155]. Their formula mass and unit-cell characteristics were not taken into account during refinement.

scholarly journals Crystal structure of bis[cis-diaquabis(phenanthroline)cobalt(II)] bis(citrato)germanate(IV) dinitrate

2021 ◽  
Vol 77 (9) ◽  
Author(s):  
Olha Buchko ◽  
Viktoriya Dyakonenko ◽  
Elena Martsinko ◽  
Elena Chebanenko
Keyword(s):  
Crystal Structure ◽  
Solvent Molecule ◽  
Crystal Data ◽  
Chemical Formula ◽  
Asymmetric Unit ◽  
Acta Cryst ◽  
Water Oxygen ◽  
Solvent Molecules ◽  
The Given ◽  
Oxygen Atoms

The asymmetric unit of the title compound, [Co(C12H8N2)2(H2O)2]2[Ge(C6H5O7)2](NO3)2, features two complex [(C12H8N2)2(H2O)2Co]2+ cations, two NO3 − anions as well as one centrosymmetric [(C6H5O7)2Ge]2− anion. Two HCit ligands (Cit = citrate, C6H4O7) each coordinate via three different oxygen atoms (hydroxylate, α-carboxylate, β-carboxylate) to the Ge atom, forming a slightly distorted octahedron. The coordination polyhedron of the Co atom is also octahedral, formed by coordination of four nitrogen atoms from two phenanthroline molecules and two water oxygen atoms. In the crystal, the cations and anions are linked by hydrogen bonds and form layers parallel to the bc plane. The structure exhibits disorder of the NO3 − anion [disorder ratio 0.688 (9) to 0.312 (9)]. There are also highly disordered solvent molecules (presumably water and/or ethanol) in the crystal structure; explicit refinement of these molecules was not possible, and the content of the voids was instead taken into account using reverse Fourier transform methods [SQUEEZE procedure in PLATON; Spek (2015). Acta Cryst. C71, 9–18]. The given chemical formula and other crystal data do not take into account the unknown solvent molecule(s).

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