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 Crystal structure of a mononuclear RuIIcomplex with a back-to-back terpyridine ligand: [RuCl(bpy)(tpy–tpy)]+

2015 ◽  
Vol 71 (9) ◽  
pp. 1017-1021 ◽  
Author(s):  
Francisca N. Rein ◽  
Weizhong Chen ◽  
Brian L. Scott ◽  
Reginaldo C. Rocha
Keyword(s):  
Crystal Structure ◽  
Crystal Packing ◽  
Bidentate Ligand ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Stacking Interactions ◽  
Bite Angle ◽  
Distorted Octahedral ◽  
The Mean

We report the structural characterization of [6′,6′′-bis(pyridin-2-yl)-2,2′:4′,4′′:2′′,2′′′-quaterpyridine](2,2′-bipyridine)chloridoruthenium(II) hexafluoridophosphate, [RuCl(C10H8N2)(C30H20N6)]PF6, which contains the bidentate ligand 2,2′-bipyridine (bpy) and the tridendate ligand 6′,6′′-bis(pyridin-2-yl)-2,2′:4′,4′′:2′′,2′′′-quaterpyridine (tpy–tpy). The [RuCl(bpy)(tpy–tpy)]+monocation has a distorted octahedral geometry at the central RuIIion due to the restricted bite angle [159.32 (16)°] of the tridendate ligand. The Ru-bound tpy and bpy moieties are nearly planar and essentially perpendicular to each other with a dihedral angle of 89.78 (11)° between the least-squares planes. The lengths of the two Ru—N bonds for bpy are 2.028 (4) and 2.075 (4) Å, with the shorter bond being opposite to Ru—Cl. For tpy–tpy, the mean Ru—N distance involving the outer N atomstransto each other is 2.053 (8) Å, whereas the length of the much shorter bond involving the central N atom is 1.936 (4) Å. The Ru—Cl distance is 2.3982 (16) Å. The free uncoordinated moiety of tpy–tpy adopts atrans,transconformation about the interannular C—C bonds, with adjacent pyridyl rings being only approximately coplanar. The crystal packing shows significant π–π stacking interactions based on tpy–tpy. The crystal structure reported here is the first for a tpy–tpy complex of ruthenium.

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 Crystal structure of tetraaqua(5,5′-dimethyl-2,2′-bipyridyl-κ2N,N′)iron(II) sulfate

2014 ◽  
Vol 70 (12) ◽  
pp. 544-546 ◽  
Author(s):  
Yamine Belamri ◽  
Fatima Setifi ◽  
Bojana M. Francuski ◽  
Sladjana B. Novaković ◽  
Setifi Zouaoui
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Coordination Bond ◽  
Octahedral Geometry ◽  
The Other ◽  
Distorted Octahedral Geometry ◽  
Cationic Complex ◽  
Centroid Distance ◽  
Distorted Octahedral ◽  
Coordination Bonds

In the title compound, [Fe(C12H12N2)(H2O)4]SO4, the central FeIIion is coordinated by two N atoms from the 5,5′-dimethyl-2,2′-bipyridine ligand and four water O atoms in a distorted octahedral geometry. The Fe—O coordination bond lengths vary from 2.080 (3) to 2.110 (3) Å, while the two Fe—N coordination bonds have practically identical lengths [2.175 (3) and 2.177 (3) Å]. The chelating N—Fe—N angle of 75.6 (1)° shows the largest deviation from an ideal octahedral geometry; the other coordination angles deviate from ideal values by 0.1 (1) to 9.1 (1)°. O—H...O hydrogen bonding between the four aqua ligands of the cationic complex and four O-atom acceptors of the anion leads to the formation of layers parallel to theabplane. Neighbouring layers further interact by means of C—H...O and π–π interactions involving the laterally positioned bipyridine rings. The perpendicular distance between π–π interacting rings is 3.365 (2) Å, with a centroid–centroid distance of 3.702 (3) Å.

scholarly journals Bis(propane-1,3-diamine)disaccharinatonickel(II)

2012 ◽  
Vol 68 (4) ◽  
pp. m425-m426 ◽  
Author(s):  
Gökhan Kaştaş ◽  
Can Kocabıyık
Keyword(s):  
Metal Ion ◽  
Crystal Packing ◽  
Chair Conformation ◽  
Membered Ring ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Inversion Center ◽  
One Dimensional ◽  
Dimensional Network ◽  
Distorted Octahedral

In the title complex, [Ni(C7H4NO3S)2(C3H10N2)2] or [Ni(sac)2(pen)2] (sac = saccharinate or 1,1,3-trioxo-2,3-dihydro-1λ6,2-benzothiazol-2-ide and pen = propane-1,3-diamine), the NiIIion sits on an inversion center, being coordinated by two N atoms of the sac ligands, which occupytranspositions, and four N atoms of the bidentate pen ligands to define a distorted octahedral geometry. The pen ligands chelate the metal ion, forming a six-membered ring which adopts a half-chair conformation, while the sac ligands adopt the most common coordination mode. The crystal packing is stabilized by N—H...O hydrogen bonds, which form a one-dimensional network along [010]. It is also supported by an N—H...S hydrogen bond between the amine group of the pen ligand and the sulfonyl group of the sac ligand.

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).

scholarly journals Tetrachlorido(1,10-phenanthroline-κ2N,N′)tin(IV) 1,2-dichloroethane hemisolvate

2009 ◽  
Vol 65 (6) ◽  
pp. m690-m690 ◽  
Author(s):  
Badri Z. Momeni ◽  
Frank Rominger ◽  
Simin S. Hosseini
Keyword(s):  
Title Compound ◽  
Crystal Packing ◽  
Interplanar Distance ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Π Interactions ◽  
Distorted Octahedral

The asymmetric unit of the title compound, [SnCl4(C12H8N2)]·0.5C2H4Cl2, contains a tin complex and one disordered half-molecule of the solvent dichloroethane [occupancies 0.71 (2):0.29 (2)]. The six coordinate Sn(IV) atom adopts a distorted octahedral geometry. π–π interactions between adjacent aromatic rings [interplanar distance 3.483 (5) Å] seem to be effective in the stabilization of the crystal packing.

scholarly journals Crystal structure of the tetraaquabis(thiocyanato-κN)cobalt(II)–caffeine–water (1/2/4) co-crystal

2017 ◽  
Vol 73 (7) ◽  
pp. 980-982
Author(s):  
H. El Hamdani ◽  
M. El Amane ◽  
C. Duhayon
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Complex Molecules ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Distorted Octahedral

In the structure of the title compound [systematic name: tetraaquabis(thiocyanato-κN)cobalt(II)–1,3,7-trimethyl-1,2,3,6-tetrahydro-7H-purine-2,6-dione–water (1/2/4)], [Co(NCS)2(H2O)4]·2C8H10N4O2·4H2O, the cobalt(II) cation lies on an inversion centre and is coordinated in a slightly distorted octahedral geometry by the oxygen atoms of four water molecules and two N atoms of twotrans-arranged thiocyanate anions. In the crystal, the complex molecules interact with the caffeine molecules through O—H...N, O—H...O and C—H...S hydrogen bonds and π–π interactions [centroid-to-centroid distance = 3.4715 (5) Å], forming layers parallel to theabplane, which are further connected into a three-dimensional network by O—H...O and O—H...S hydrogen bonds involving the non-coordinating water molecules.

scholarly journals Desconstruction of Two compounds of p-sulfobenzoic ligand by Reticular Chemistry

2014 ◽  
Vol 70 (a1) ◽  
pp. C1622-C1622
Author(s):  
Chris Hebert Franco ◽  
Renata Aglio ◽  
Charlane Corrêa ◽  
Renata Diniz
Keyword(s):  
Crystal Structure ◽  
Crystal Packing ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Sulfonate Group ◽  
Simple Modification ◽  
Distorted Octahedral ◽  
Metal Organic ◽  
Oxygen Atoms

The p-sulfobenzoic (4-psb) acid may be used as precursors for different Metal Organic frameworks (MOFs) since they can display different coordination site on the metal with two different functional groups (carboxylate and sulfonate). Details of the crystal packing can be studied using the Reticular Chemistry like a power tool for the deconstruction process of crystal structure of this compounds formed [1]. Two crystal structures Zn-psb and Mn-psb with 4-psb ligand and Zn+2 and Mn+2 ions, respectively, were synthesized. Single crystal-data were collected using an Oxford GEMINI A-Ultra diffractometer with MoKα radiation (λ = 0.71073 Å) at room temperature (298 K). These structures were refined by SHELXL-97 program [2]. Both compounds crystallized in the triclinic system and space group P-1. Zn-psb structure shows a coordinated Zn atom with a slightly distorted octahedral geometry formed by four oxygen atoms from water molecules with averaged distances at 2.08 (2) Å and two oxygen atoms with distances at 2.12 (2) Å derived from the ligand. Mn-psb structure has coordinated Mn atom with a slightly distorted octahedral geometry formed by four oxygen atoms from sulfonate group coordinated with averaged distances at 2.19 (3) Å and two oxygen atoms from water molecules with distances at 2.17 (2) Å. Despite the structural similarities of the structures, a simple modification of the metal in the reaction leads to a tendency for different network. Thus, Zn-psb structure consists of a network-connected system binodal (3,8). This network is deposited in Reticular Chemistry Structural Resource as a network type tfz-d system with tilling of transitivity [2222] and signature 3[4^2.6^2] + 2[6^3]. However, the Mn-psb structure leads to formation of a regular network with pcu topologic type presenting tilling with transitivity [1111] and signature [4^6]. The system of cavities formed into networks are blocked by ligands in the crystal structure.

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