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 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 trans-Diaquabis[(E)-3-(dimethylamino)-1-(2-pyridyl)prop-2-en-1-one-κ2N1,O]cobalt(II) dinitrate dihydrate

2009 ◽  
Vol 65 (6) ◽  
pp. m633-m633 ◽  
Author(s):  
Jian-Hong Bi
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Inversion Center ◽  
Distorted Octahedral

In the title compound, [Co(C10H12N2O)2(H2O)2](NO3)2·2H2O, the CoIIion, located on an inversion center, istrans-coordinated by twoN,O-bidentate chelating (E)-3-(dimethylamino)-1-(2-pyridyl)prop-2-en-1-one ligands and by two water molecules in a slightly distorted octahedral geometry. Intermolecular O—H...O hydrogen bonds link the cations, anions and water molecules into layers parallel to theacplane. The crystal packing also exhibits weak intermolecular C—H...O hydrogen bonds.

scholarly journals Crystal structure of aqua[(E)-N′-(5-bromo-2-oxidobenzylidene-κO)benzohydrazidato-κ2O,N′]dioxidomolybdenum(VI) dimethylformamide monosolvate

2015 ◽  
Vol 71 (6) ◽  
pp. 702-705 ◽  
Author(s):  
Radhika Sudheer ◽  
M. Sithambaresan ◽  
N. R. Sajitha ◽  
E. Manoj ◽  
M. R. Prathapachandra Kurup
Keyword(s):  
Crystal Structure ◽  
Crystal Packing ◽  
Solvent Molecule ◽  
Membered Ring ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Ligand ◽  
Aromatic Rings ◽  
Centroid Distance ◽  
Distorted Octahedral

The title compound, [Mo(C14H9BrN2O2)O2(H2O)]·C3H7NO, has a distorted octahedral geometry around the Mo atom, with the two terminal oxide groups lyingcisto each other. The two aromatic rings present in the molecule are almost coplanar, forming a dihedral angle of 1.4 (2)°. The five-membered ring involving the metal atom is puckered, with an amplitudeQ= 0.358 (2) Å and ϕ = 204.1 (6)°. In the crystal, pairs of inversion-related molecules are linked by O—H...N hydrogen bonds. An O—H...O hydrogen bond connects the water ligand to the dimethylformamide solvent molecule. The crystal packing also features π–π [centroid–centroid distance of 3.688 (2) Å] and C—H...O interactions.

scholarly journals Dichloridobis[ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate-κ2 O,N 3]cadmium

2012 ◽  
Vol 68 (6) ◽  
pp. m788-m789
Author(s):  
Lai-Jun Zhang ◽  
Fa-Yun Chen ◽  
Guang-Yi Liu ◽  
Xiao Chen ◽  
Zhi-Feng Chen
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Asymmetric Unit ◽  
Complex Molecules ◽  
Acetate Ligand ◽  
Distorted Octahedral

The asymmetric unit of the title compound, [CdCl2(C7H10N2O2S)2], contains two complex molecules with similar configurations. The CdII atoms are each six-coordinated by two thiazole N and two carbonyl O atoms from the 2-(2-amino-1,3-thiazol-4-yl)acetate ligand, and by two Cl− anions in a distorted octahedral geometry. In the crystal, intra- and intermolecular N—H...Cl hydrogen bonds create parallel chains along [1-10]. C—H...Cl interactions also occur.

scholarly journals Poly[(μ3-benzene-1,3-dicarboxylato-κ4 O 1:O 1′:O 3,O 3′)bis(pyridine-κN)cobalt(II)]

2012 ◽  
Vol 68 (6) ◽  
pp. m755-m755
Author(s):  
Fengxia Xie ◽  
Dan Zhang ◽  
Xinxin Zhang
Keyword(s):  
Hydrogen Bonds ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Asymmetric Unit ◽  
Polymeric Compound ◽  
Pyridine Ligands ◽  
Distorted Octahedral

In the asymmetric unit of the title polymeric compound, [Co(C8H4O4)(C5H5N)2] n , there are two crystallographically independent CoII atoms, each of which is six-coordinated in a distorted octahedral geometry by four O atoms from benzenedicarboxylate anions and two N atoms from pyridine ligands. The benzenedicarboxylate dianions bridge the CoII atoms into a tape running along the b axis. C—H...O hydrogen bonds are observed in the tape and between the tapes.

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 (5-Methylpyrazine-2-carboxylato-κ2N1,O)bis[2-(4-methylpyridin-2-yl-κN)-3,5-bis(trifluoromethyl)phenyl-κC1]iridium(III) chloroform hemisolvate

2014 ◽  
Vol 70 (2) ◽  
pp. m34-m34
Author(s):  
Young-Inn Kim ◽  
Young-Kwang Song ◽  
Sung Kwon Kang
Keyword(s):  
Solvent Molecule ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Asymmetric Unit ◽  
Bidentate Ligands ◽  
Acta Cryst ◽  
Complex Molecules ◽  
Distorted Octahedral ◽  
Cell Data ◽  
Unit Cell Data

In the title complex, [Ir(C14H8F6N)2(C6H5N2O2)]·0.5CHCl3, the IrIIIatom adopts a distorted octahedral geometry, being coordinated by three N atoms (arranged meridionally), two C atoms and one O atom of three bidentate ligands. The complex molecules pack with no specific intermolecular interactions between them. TheSQUEEZEprocedure inPLATON[Spek (2009).Acta Cryst.D65, 148–155] was used to model a disordered chloroform solvent molecule; the calculated unit-cell data allow for the presence of half of this molecule in the asymmetric unit.

scholarly journals Bis(2,2′-bipyridine)[1,9-bis(diphenylphosphanyl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium]ruthenium(II) hexafluoridophosphate dibromide dichloromethane disolvate monohydrate

2013 ◽  
Vol 69 (12) ◽  
pp. m640-m641 ◽  
Author(s):  
Congcong Shang ◽  
Laure Vendier ◽  
Pierre Sutra ◽  
Alain Igau
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Solvent Molecules ◽  
Cl Atom

In the cation of the title complex, [Ru(C31H32N3P2)(C10H8N2)2](PF6)(Br)2·2CH2Cl2·H2O, the ruthenium ion is coordinated in a distorted octahedral geometry by two 2,2′-bipyridine (bpy) ligands and a chelating cationicN-diphenylphosphino-1,3,4,6,7,8-hexahydro-2-pyrimido[1,2-a]pyrimidine [(PPh2)2-hpp] ligand. The tricationic charge of the complex is balanced by two bromide and one hexafluoridophosphate counter-anions. The compound crystallized with two molecules of dichloromethane (one of which is equally disordered about a Cl atom) and a water molecule. In the crystal, one of the Br anions bridges two water moleculesviaO—H...Br hydrogen bonds, forming a centrosymmetric diamond-shapedR42(8) motif. The cation and anions and the solvent molecules are linkedviaC—H...F, C—H...Br, C—H...Cl and C—H...O hydrogen bonds, forming a three-dimensional network.

Twofac-tricarbonylrhenium(I) azadipyrromethene (ADPM) complexes: ligand-substitution effect on crystal structure

2015 ◽  
Vol 71 (2) ◽  
pp. 122-127 ◽  
Author(s):  
Mihaela Cibian ◽  
André Bessette ◽  
Andrew O'Connor ◽  
Janaina G. Ferreira ◽  
Garry S. Hanan
Keyword(s):  
Crystal Packing ◽  
Solvent Molecule ◽  
Substitution Effect ◽  
Octahedral Geometry ◽  
Axial Position ◽  
Distorted Octahedral Geometry ◽  
Equatorial Position ◽  
Distorted Octahedral ◽  
Steric Factors ◽  
High Flexibility

The crystal structures offac-(acetonitrile-κN)(2-{[3,5-bis(4-methoxyphenyl)-2H-pyrrol-2-ylidene-κN1]amino}-3,5-bis(4-<!?tlsb=0.2pt>methoxyphenyl)-1H-pyrrol-1-ido-κN1)tricarbonylrhenium(I)–hexane–acetonitrile (2/1/2), [Re(C36H30N3O4)(CH3CN)(CO)3]·0.5C6H14·CH3CN, (2), andfac-(2-{[3,5-bis(4-methoxyphenyl)-2H-pyrrol-2-ylidene-κN1]amino}-3,5-bis(4-methoxyphenyl)-1H-pyrrol-1-ido-κN1)tricarbonyl(dimethyl sulfoxide-κO)rhenium(I), [Re(C36H30N3O4)(C2H6OS)(CO)3], (3), at 150 K are reported. Both complexes display a distorted octahedral geometry, with afac-Re(CO)3arrangement and one azadipyrromethene (ADPM) chelating ligand in the equatorial position. One solvent molecule completes the coordination sphere of the ReIcentre in the remaining axial position. The ADPM ligand shows high flexibility upon coordination, while retaining its π-delocalized nature. Bond length and angle analyses indicate that the differences in the geometry around the ReIcentre in (2) and (3), and those found in three reportedfac-Re(CO)3–ADPM complexes, are dictated mainly by steric factors and crystal packing. Both structures display intramolecular C—H...N hydrogen bonding. Intermolecular interactions of the Csp2—H...π and Csp2—H...O(carbonyl) types link the discrete monomers into extended chains.

scholarly journals Diaqua[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato-κ4N]iron(III) trifluoromethanesulfonate–4-hydroxy-3-methoxybenzaldehyde–water (1/1/2)

2014 ◽  
Vol 70 (8) ◽  
pp. m296-m297 ◽  
Author(s):  
Leila Ben Haj Hassen ◽  
Khaireddine Ezzayani ◽  
Yoann Rousselin ◽  
Habib Nasri
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Supramolecular Architecture ◽  
Centroid Distance ◽  
Distorted Octahedral ◽  
Benzene Rings

In the title compound, [Fe(C44H24Cl4N4)(H2O)2](SO3CF3)·C8H8O3·2H2O, the FeIIIcation is chelated by the four N atoms of the deprotonated tetrakis(4-chlorotetraphenyl)porphyrin (TClPP) and further coordinated by two water molecules in a distorted octahedral geometry. In the crystal, the cations, anions, 4-hydroxy-3-methoxybenzaldehyde and water molecules of crystallization are linked by classical O—H...O hydrogen bonds and weak C—H...O and C—H...Cl hydrogen bonds into a three-dimensional supramolecular architecture. The crystal packing is further stabilized by weak C—H...π interactions involving pyrrole and benzene rings. π–π stacking between parallel benzene rings of adjacent 4-hydroxy-3-methoxybenzaldehyde molecules is also observed, the centroid–centroid distance being 3.8003 (13) Å. The three F atoms of the anion are disordered over two sets of sites, with a refined occupancy ratio 0.527 (12):0.473 (12). The O atom of one water molecule of crystallization is also disordered over two positions in an occupancy ratio of 0.68 (5):0.32 (5).

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