scholarly journals Trinuclear nickel coordination complexes of phenanthrene-9,10-dione dioxime

2016 ◽  
Vol 72 (4) ◽  
pp. 538-542
Author(s):  
Owen M. Williams ◽  
Alan H. Cowley
Keyword(s):  
Direct Interaction ◽  
Nearest Neighbors ◽  
Nickel Atom ◽  
Coordination Complexes ◽  
Stacking Interactions ◽  
Acta Cryst ◽  
Centroid Distance ◽  
Square Planar ◽  
Analogous Complex ◽  
Complex Features

A trinuclear nickel complex of phenanthrene-9,10-dione dioxime (H2pqd), namely bis[μ2-9,10-bis(oxidoimino)phenanthrene]bis[μ2-10-(oxidoimino)phenanthrene-9-one oxime](phenanthrene-9,10-dione dioxime)trinickel(II) toluene disolvate, [Ni3(C14H8N2O2)2(C14H9N2O2)2(C14H10N2O2)]·2C7H8, has been isolated and its crystal structure determined. This complex features three independent NiIIatoms that are arranged in a triangular fashion along with five supporting ligands. There are two square-planar NiIIatoms and a third pseudo-octahedral NiIIatom. While the square-planar NiIIatoms are stacked, there are no ligand bridges between them. Each square-planar NiIIatom, however, bridges with the pseudo-octahedral NiIIatom through Ni—N—O—Ni and Ni—O—Ni bonds. A fluoridoboration reaction of the proton-bridged species gave the analogous complex bis(μ2-bis{[10-(oxidoimino)-9,10-dihydrophenanthren-9-ylidene]amino}difluoridoborato)(phenanthrene-9,10-dione dioxime)trinickel(II) dichloromethane trisolvate, [Ni3(C28H16BF2N4O2)4(C14H10N2O2)]·3CH2Cl2, which shows the same binding structure, but features a widened Ni—Ni interaction between the square-planar NiIIatoms. The proton-bridged complex completes the macrocyclic coordination around the square-planar NiIIatoms by means of an O—H...O hydrogen bond. Both compounds feature O—H...N hydrogen bonds between the oxime and the N atoms attached to square-planar nickel atom. The nickel units show no direct interaction with their nearest neighbors in the extended lattice. Two π-stacking interactions between adjacent molecules are found: one with a centroid–centroid distance of 3.886 (2) Å and the other with a centroid–centroid distance of 4.256 (3) Å. In the latter case, although not aromatic, the distance to the centroid of the central phenanthrene ring is shorter, with a distance of 3.528 (3) Å. Toluene molecules occupy the solvent channels that are oriented along thecaxis. In the fluoridoboronate structure, the solvent (DCM) was too badly disordered to be modelled, so its contribution was removed using SQUEEZE [Spek (2015).Acta Cryst.C71, 9–18].

scholarly journals Crystal structure and Hirshfeld surface analysis of (E)-3-[(4-chlorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide

2019 ◽  
Vol 75 (8) ◽  
pp. 1175-1179 ◽  
Author(s):  
Gulnara Sh. Duruskari ◽  
Ali N. Khalilov ◽  
Mehmet Akkurt ◽  
Gunay Z. Mammadova ◽  
Taras Chyrka ◽  
...  
Keyword(s):  
Surface Analysis ◽  
Phenyl Ring ◽  
Crystal Packing ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Stacking Interactions ◽  
Minor Components ◽  
Acta Cryst ◽  
Centroid Distance ◽  
Thiazolidine Ring

The title salt, C16H15ClN3S+·Br−, is isotypic with (E)-3-[(4-fluorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide [Khalilov et al. (2019). Acta Cryst. E75, 662–666]. In the cation of the title salt, the atoms of the phenyl ring attached to the central thiazolidine ring and the atom joining the thiazolidine ring to the benzene ring are disordered over two sets of sites with occupancies of 0.570 (3) and 0.430 (3). The major and minor components of the disordered thiazolidine ring adopt slightly distorted envelope conformations, with the C atom bearing the phenyl ring as the flap atom. In the crystal, centrosymmetrically related cations and anions are linked into dimeric units via N—H...Br hydrogen bonds, which are further connected by weak C—H...Br contacts into chains parallel to the a axis. Furthermore, not existing in the earlier report of (E)-3-[(4-fluorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide, C—H...π interactions and π–π stacking interactions [centroid-to-centroid distance = 3.897 (2) Å] between the major components of the disordered phenyl ring contribute to the stabilization of the molecular packing. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions for the crystal packing are from H...H (30.5%), Br...H/H...Br (21.2%), C...H/H...C (19.2%), Cl...H/H...Cl (13.0%) and S...H/H...S (5.0%) interactions.

scholarly journals (1-Adamantyl){4-[(2-chloro-9-isopropyl-9H-purin-6-yl)aminomethyl]phenyl}methanone trichloromethane solvate

2009 ◽  
Vol 65 (6) ◽  
pp. o1268-o1268 ◽  
Author(s):  
Michal Rouchal ◽  
Marek Nečas ◽  
Robert Vícha
Keyword(s):  
Interplanar Distance ◽  
Maximum Deviation ◽  
Stacking Interactions ◽  
Ring Systems ◽  
Face To Face ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Purine Ring ◽  
Centrosymmetric Dimers

In the title compound, C26H30ClN5O·CHCl3, the purine molecule consists of essentially planar benzene and purine ring systems [maximum deviation 0.010 (4) Å for both ring systems] forming a dihedral angle of 85.52 (9)°. Intermolecular N—H...N hydrogen bonds link adjacent molecules into centrosymmetric dimers. The structure also contains intermolecular C—H...O and C—H...N interactions. The benzene rings form offset face-to-face π–π stacking interactions with an interplanar distance of 3.541 (4) Å and a centroid-to-centroid distance of 4.022 (4) Å.

scholarly journals Bis(thiocyanato-κN)[tris(pyridin-2-ylmethyl)amine-κ4N]iron(II)

2014 ◽  
Vol 70 (2) ◽  
pp. m35-m35
Author(s):  
Jing-Wei Dai ◽  
Zhao-Yang Li ◽  
Osamu Sato
Keyword(s):  
Hydrogen Bonds ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Stacking Interactions ◽  
Supramolecular Architecture ◽  
Two Dimensional ◽  
Π Stacking ◽  
Centroid Distance ◽  
Solvent Molecules ◽  
Amine Ligand

In the title complex, [Fe(NCS)2(C18H18N4)], the FeIIcation is chelated by a tris(2-pyridylmethyl)amine ligand and coordinated by two thiocyanate anions in a distorted N6octahedral geometry. In the crystal, weak C—H...S hydrogen bonds and π–π stacking interactions between parallel pyridine rings of adjacent molecules [centroid–centroid distance = 3.653 (3) Å] link the molecules into a two-dimensional supramolecular architecture. The structure contains voids of 124 (9) Å3, which are free of solvent molecules.

scholarly journals Di-μ-chlorido-bis[(2,2′-bipyridine-5,5′-dicarboxylic acid-κ2N,N′)chloridocopper(II)] dimethylformamide tetrasolvate

2013 ◽  
Vol 69 (2) ◽  
pp. m73-m74 ◽  
Author(s):  
Sigurd Øien ◽  
David Stephen Wragg ◽  
Karl Petter Lillerud ◽  
Mats Tilset
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Cooh Group ◽  
Stacking Interactions ◽  
Coordination Geometry ◽  
Complex Molecules ◽  
Centroid Distance ◽  
Solvent Molecules ◽  
Hydrogen Bonded

In the title compound, [Cu2Cl4(C12H8N2O4)2]·4C3H7NO, which contains a chloride-bridged centrosymmetric CuIIdimer, the CuIIatom is in a distorted square-pyramidal 4 + 1 coordination geometry defined by the N atoms of the chelating 2,2′-bipyridine ligand, a terminal chloride and two bridging chloride ligands. Of the two independent dimethylformamide molecules, one is hydrogen bonded to a single –COOH group, while one links two adjacent –COOH groupsviaa strong accepted O—H...O and a weak donated C(O)—H...O hydrogen bond. Two of these last molecules and the two –COOH groups form a centrosymmetric hydrogen-bonded ring in which the CH=O and the –COOH groups by disorder adopt two alternate orientations in a 0.44:0.56 ratio. These hydrogen bonds link the CuIIcomplex molecules and the dimethylformamide solvent molecules into infinite chains along [-111]. Slipped π–π stacking interactions between two centrosymmetric pyridine rings (centroid–centroid distance = 3.63 Å) contribute to the coherence of the structure along [0-11].

scholarly journals Crystal structure of 2,4-dinitrophenyl 4-methylbenzenesulfonate: a new polymorph

2015 ◽  
Vol 71 (9) ◽  
pp. 1085-1088 ◽  
Author(s):  
Tyler A. Cooley ◽  
Sean Riley ◽  
Shannon M. Biros ◽  
Richard J. Staples ◽  
Felix N. Ngassa
Keyword(s):  
Crystal Structure ◽  
Nucleophilic Substitution ◽  
Torsion Angle ◽  
Title Compound ◽  
Substitution Reaction ◽  
Sulfonate Group ◽  
Acta Cryst ◽  
Crystal Stability ◽  
Compound C ◽  
Centroid Distance

The title compound, C13H10N2O7S, was synthesizedviaa nucleophilic substitution reaction between 2,4-dinitrophenol andp-toluenesulfonyl chloride. This crystal structure is a polymorph of CSD entry WUVYUH [Vembuet al.(2003).Acta Cryst, E59, o378–380]. The aromatic substituents on the sulfonate group are orientedgaucheto one another with a C—O—S—C torsion angle of −62.0 (3)°. The supramolecular features that contribute to the crystal stability are offset π–π [centroid–centroid distance = 3.729 (2) Å] and multiple C—H...O interactions.

scholarly journals Crystal structure of a looped-chain CoIIcoordination polymer:catena-poly[[bis(nitrato-κO)cobalt(II)]bis[μ-bis(pyridin-3-ylmethyl)sulfane-κ2N:N′]]

2017 ◽  
Vol 73 (11) ◽  
pp. 1700-1703 ◽  
Author(s):  
Suk-Hee Moon ◽  
Joobeom Seo ◽  
Ki-Min Park
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Distorted Octahedral Geometry ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Coordination Sites ◽  
Centroid Distance ◽  
Distorted Octahedral ◽  
Ring Centroid ◽  
Nitrate Anions

The asymmetric unit of the title compound, [Co(NO3)2(C12H12N2S)2]n, contains a bis(pyridin-3-ylmethyl)sulfane (L) ligand, an NO3−anion and half a CoIIcation, which lies on an inversion centre. The CoIIcation is six-coordinated, being bound to four pyridine N atoms from four symmetry-relatedLligands. The remaining coordination sites are occupied by two O atoms from two symmetry-related nitrate anions in a monodentate manner. Thus, the CoIIcentre adopts a distorted octahedral geometry. Two symmetry-relatedLligands are connected by two symmetry-related CoIIcations, forming a 20-membered cyclic dimer, in which the CoIIatoms are separated by 10.2922 (7) Å. The cyclic dimers are connected to each other by sharing CoIIatoms, giving rise to the formation of an infinite looped chain propagating along the [101] direction. Intermolecular C—H...π (H...ring centroid = 2.89 Å) interactions between one pair of correspondingLligands and C—H...O hydrogen bonds between theLligands and the nitrate anions occur in the looped chain. In the crystal, adjacent looped chains are connected by intermolecular π–π stacking interactions [centroid-to-centroid distance = 3.8859 (14) Å] and C—H...π hydrogen bonds (H...ring centroid = 2.65 Å), leading to the formation of layers parallel to (101). These layers are further connected through C—H...O hydrogen bonds between the layers, resulting in the formation of a three-dimensional supramolecular architecture.

scholarly journals Redetermination of (2,2′-bipyridine-κ2N,N′)dichloridopalladium(II) dichloromethane solvate

2009 ◽  
Vol 65 (6) ◽  
pp. m615-m616 ◽  
Author(s):  
Nam-Ho Kim ◽  
In-Chul Hwang ◽  
Kwang Ha
Keyword(s):  
Hydrogen Bonds ◽  
Structure Refinement ◽  
Chloride Ions ◽  
Fourier Synthesis ◽  
Complex Molecules ◽  
Bipy Ligand ◽  
Π Interactions ◽  
Centroid Distance ◽  
Square Planar ◽  
Difference Fourier

In the title compound, [PdCl2(C10H8N2)]·CH2Cl2, the Pd2+ion is four-coordinated in a slightly distorted square-planar environment by two N atoms of the 2,2′-bipyridine (bipy) ligand and two chloride ions. The compound displays intramolecular C—H...Cl hydrogen bonds and pairs of complex molecules are connected by intermolecular C—H...Cl hydrogen bonds. Intermolecular π–π interactions are present between the pyridine rings of the ligand, the shortest centroid–centroid distance being 4.096 (3) Å. As a result of the electronic nature of the chelate ring, it is possible to create π–π interactions to its symmetry-related counterpart [3.720 (2) Å] and also with a pyridine ring [3.570 (3) Å] of the bipy unit. The present structure is a redetermination of a previous structure [Vicenteet al.(1997). Private communication (refcode PYCXMN02). CCDC, Cambridge, England]. In the new structure refinement all H atoms were located in a difference Fourier synthesis. Their coordinates were refined freely, together with isotropic displacement parameters.

scholarly journals Crystal structure of {bis[2-(3,5-dimethylpyrazol-1-yl-κN2)ethyl]amine-κN}chloridoplatinum(II) chloride dihydrate

2015 ◽  
Vol 71 (4) ◽  
pp. m98-m99
Author(s):  
María de los Angeles Mendoza ◽  
Sylvain Bernès ◽  
Guillermo Mendoza-Díaz
Keyword(s):  
Tridentate Ligand ◽  
Planar Geometry ◽  
Acta Cryst ◽  
Complex Molecules ◽  
Chloride Dihydrate ◽  
Square Planar ◽  
Unit Form ◽  
Chloride Ligand ◽  
Amine Groups ◽  
Ethyl Amine

The title complex, [PtCl(C14H23N5)]Cl·2H2O, is isomorphous with the PdIIcompound characterized previously [Mendoza, Bernès & Mendoza-Díaz (2006).Acta Cryst. E62, m2934–m2936]. The angle between pyrazole mean planes in the main ligand is 88.3 (4)°, similar to that observed in the PdIIanalogue [87.62 (11)°]. This tridentate ligand adopts a conformation approximating a twofold symmetry, allowing its coordination to the metal atom, together with a chloride ligand, in an almost perfect square-planar geometry. A chloride anion and two water molecules in the asymmetric unit form a hydrogen-bonded network connected to the complex molecules in the crystalviathe NH amine groups, forming chains along [100].

scholarly journals 2,4-Dibromo-2,3-dihydro-1H-inden-1-yl acetate

2012 ◽  
Vol 68 (6) ◽  
pp. o1884-o1884 ◽  
Author(s):  
Ísmail Çelik ◽  
Mehmet Akkurt ◽  
Makbule Yilmaz ◽  
Ahmet Tutar ◽  
Ramazan Erenler ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Stacking Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Cyclopentene Ring

In the title compound, C11H10Br2O2, the cyclopentene ring fused to the benzene ring adopts an envelope conformation, with the C atom attached to the Br atom as the flap. The crystal structure does not exhibit any classical hydrogen bonds. The molecular packing is stabilized by van der Waals forces and π–π stacking interactions with a centroid–centroid distance of 3.811 (4) Å.

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