[Ni(cyclam)(OCOR)2], a finite molecular complex: hydrogen-bonded supramolecular aggregation in one, two and three dimensions, and coordination polymers in one and two dimensions

2001 ◽  
Vol 58 (1) ◽  
pp. 78-93 ◽  
Author(s):  
Choudhury M. Zakaria ◽  
George Ferguson ◽  
Alan J. Lough ◽  
Christopher Glidewell
Keyword(s):  
Hydrogen Bonding ◽  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Two Dimensions ◽  
Three Dimensions ◽  
Two Dimensional ◽  
Compound I ◽  
Supramolecular Aggregation ◽  
Linear Coordination

In the complexes [Ni(cyclam)(OCOR)2] (cyclam = 1,4,8,11-tetraazacyclotetradecane), where (RCOO)− is 2-naphtho-ate [bis-(2-naphthoato)-1,4,8,11-tetraazacyclotetradecanenickel(II), (I), monoclinic P21/c, Z′ = 0.5], 3,5-dinitrobenzoate [bis-(3,5-dinitrobenzoato)-1,4,8,11-tetraazacyclotetradecanenickel(II), (II), triclinic P\bar 1, Z′ = 0.5], 4-nitrobenzoate [bis-(4-nitrobenzoato)-1,4,8,11-tetraazacyclotetradecanenickel(II), (III), monoclinic P21/n, Z′ = 0.5], 3-hydroxybenzoate [bis-(3-hydroxybenzoato)-1,4,8,11-tetraazacyclotetradecanenickel(II), (IV), monoclinic P21/c, Z′ = 0.5] and 4-aminobenzo-ate [bis-(4-aminobenzoato)-1,4,8,11-tetraazacyclotetradecanenickel(II), (V), monoclinic C2/c, Z′ = 0.5], the Ni lies on a centre of inversion with monodentate carboxylato ligands occupying trans sites. Compound (I) consists of isolated molecules. In (II) and (III), N—H...O hydrogen bonds link the complexes into chains. Compounds (IV) and (III) form two- and three-dimensional structures generated entirely by hard hydrogen bonds. The 5-hydroxyisophthalate(2−) anion forms a hydrated complex, [Ni(cyclam)(5-hydroxyisophthalate)(H2O)]·4H2O {[aqua-(5-hydroxyisophthalato)-1,4,8,11-tetraazacyclotetradecanenickel(II)] tetrahydrate, (VI), monoclinic Cc, Z′ = 1}, in which the monodentate carboxylato ligand and a water molecule occupy trans sites at Ni: extensive hydrogen bonding links the molecular aggregates into a three-dimensional framework. The terephthalate(2−) anion forms a hydrated linear coordination polymer {catena-poly[terephthalato-1,4,8,11-tetraazacyclotetradecanenickel(II)] monohydrate, (VII), monoclinic C2/c, Z′ = 0.5}. In 1,2,4,5-benzenecarboxylate tris[1,4,8,11-tetraazacyclotetradecanenickel(II)] diperchlorate hydrate (VIII), [Ni(cyclam)]3·[1,2,4,5-benzenetetracarboxylate(4−)]·[ClO4]2·-[H2O]3, there are two distinct Ni sites: [Ni(cyclam)]2+ and centrosymmetric [C10H2O8]4− units form a two-dimensional coordination polymer, whose sheets are linked by centrosymmetric [Ni(cyclam)(H2O)2]2+ cations.

Ferrocene-1,1′-dicarboxylic acid as a building block in supramolecular chemistry: supramolecular structures in one, two and three dimensions

2002 ◽  
Vol 58 (5) ◽  
pp. 786-802 ◽  
Author(s):  
Choudhury M. Zakaria ◽  
George Ferguson ◽  
Alan J. Lough ◽  
Christopher Glidewell
Keyword(s):  
Hydrogen Bonds ◽  
Dicarboxylic Acid ◽  
Three Dimensional ◽  
Two Dimensions ◽  
Supramolecular Structures ◽  
Three Dimensions ◽  
Two Dimensional ◽  
Acid Molecule ◽  
One Dimensional ◽  
Partial Transfer

The supramolecular structures have been determined for nine adducts formed between organic diamines and ferrocene-1,1′-dicarboxylic acid. In the salt-like 1:1 adduct (1) formed with methylamine, the supramolecular structure is one-dimensional, whereas in the 1:1 adducts formed with 1,4-diazabicyclo[2.2.2]octane, (2), and 4,4′-bipyridyl, (4), and in the hydrated 2:1 adduct (3) formed with morpholine, the hard hydrogen bonds form one-dimensional structures, which are expanded to two dimensions by soft C—H...O hydrogen bonds. The hard hydrogen bonds generate two-dimensional structures in the 2:1 adduct (5) formed with octylamine, where the ferrocene component lies across a centre of inversion, in the 1:1 adduct (6) formed with piperidine and in the tetrahydrofuran-solvated 1:1 adduct (7) formed with di(cyclohexyl)amine. In the 2:3 adduct (8) formed by tris-(2-aminoethyl)amine, and in the 2:1 adduct (9) formed with 2-(4′-hydroxyphenyl)ethylamine (tyramine), where Z′ = 1.5 in space group P\bar{1}, the hard hydrogen bonds generate three-dimensional structures. No H transfer from O to N occurs in (4) and only partial transfer of H occurs in (2); in (1), (6) and (7), one H is transferred to N from each acid molecule, and in (3), (5), (8) and (9), two H are transferred from each acid molecule.

scholarly journals Crystal structures of {[Cu(Lpn)2][Fe(CN)5(NO)]·H2O}nand {[Cu(Lpn)2]3[Cr(CN)6]2·5H2O}n[where Lpn = (R)-propane-1,2-diamine]: two heterometallic chiral cyanide-bridged coordination polymers

2015 ◽  
Vol 71 (4) ◽  
pp. 392-397
Author(s):  
Olha Sereda ◽  
Helen Stoeckli-Evans
Keyword(s):  
Hydrogen Bonds ◽  
Coordination Polymers ◽  
Three Dimensional ◽  
Water Molecules ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Compound I ◽  
Distorted Octahedral ◽  
Coordination Spheres ◽  
Compound Ii

The title compounds,catena-poly[[[bis[(R)-propane-1,2-diamine-κ2N,N′]copper(II)]-μ-cyanido-κ2N:C-[tris(cyanido-κC)(nitroso-κN)iron(III)]-μ-cyanido-κ2C:N] monohydrate], {[Cu(Lpn)2][Fe(CN)5(NO)]·H2O}n, (I), and poly[[hexa-μ-cyanido-κ12C:N-hexacyanido-κ6C-hexakis[(R)-propane-1,2-diamine-κ2N,N′]dichromium(III)tricopper(II)] pentahydrate], {[Cu(Lpn)2]3[Cr(CN)6]2·5H2O}n, (II) [where Lpn = (R)-propane-1,2-diamine, C3H10N2], are new chiral cyanide-bridged bimetallic coordination polymers. The asymmetric unit of compound (I) is composed of two independent cation–anion units of {[Cu(Lpn)2][Fe(CN)5)(NO)]} and two water molecules. The FeIIIatoms have distorted octahedral geometries, while the CuIIatoms can be considered to be pentacoordinate. In the crystal, however, the units align to form zigzag cyanide-bridged chains propagating along [101]. Hence, the CuIIatoms have distorted octahedral coordination spheres with extremely long semicoordination Cu—N(cyanido) bridging bonds. The chains are linked by O—H...N and N—H...N hydrogen bonds, forming two-dimensional networks parallel to (010), and the networks are linkedviaN—H...O and N—H...N hydrogen bonds, forming a three-dimensional framework. Compound (II) is a two-dimensional cyanide-bridged coordination polymer. The asymmetric unit is composed of two chiral {[Cu(Lpn)2][Cr(CN)6]}−anions bridged by a chiral [Cu(Lpn)2]2+cation and five water molecules of crystallization. Both the CrIIIatoms and the central CuIIatom have distorted octahedral geometries. The coordination spheres of the outer CuIIatoms of the asymmetric unit can be considered to be pentacoordinate. In the crystal, these units are bridged by long semicoordination Cu—N(cyanide) bridging bonds forming a two-dimensional network, hence these CuIIatoms now have distorted octahedral geometries. The networks, which lie parallel to (10-1), are linkedviaO—H...O, O—H...N, N—H...O and N—H...N hydrogen bonds involving all five non-coordinating water molecules, the cyanide N atoms and the NH2groups of the Lpn ligands, forming a three-dimensional framework.

Compressible magnetoconvection in three dimensions: planforms and nonlinear behaviour

1995 ◽  
Vol 305 ◽  
pp. 281-305 ◽  
Author(s):  
P. C. Matthews ◽  
M. R. E. Proctor ◽  
N. O. Weiss
Keyword(s):  
Magnetic Field ◽  
Shear Flow ◽  
Three Dimensional ◽  
Two Dimensions ◽  
Three Dimensions ◽  
Nonlinear Behaviour ◽  
Two Dimensional ◽  
Horizontal Shear ◽  
Mean Flow ◽  
The Magnetic Field

Convection in a compressible fiuid with an imposed vertical magnetic field is studied numerically in a three-dimensional Cartesian geometry with periodic lateral boundary conditions. Attention is restricted to the mildly nonlinear regime, with parameters chosen first so that convection at onset is steady, and then so that it is oscillatory.Steady convection occurs in the form of two-dimensional rolls when the magnetic field is weak. These rolls can become unstable to a mean horizontal shear flow, which in two dimensions leads to a pulsating wave in which the direction of the mean flow reverses. In three dimensions a new pattern is found in which the alignment of the rolls and the shear flow alternates.If the magnetic field is sufficiently strong, squares or hexagons are stable at the onset of convection. Both the squares and the hexagons have an asymmetrical topology, with upflow in plumes and downflow in sheets. For the squares this involves a resonance between rolls aligned with the box and rolls aligned digonally to the box. The preference for three-dimensional flow when the field is strong is a consequence of the compressibility of the layer- for Boussinesq magnetoconvection rolls are always preferred over squares at onset.In the regime where convection is oscillatory, the preferred planform for moderate fields is found to be alternating rolls - standing waves in both horizontal directions which are out of phase. For stronger fields, both alternating rolls and two-dimensional travelling rolls are stable. As the amplitude of convection is increased, either by dcereasing the magnetic field strength or by increasing the temperature contrast, the regular planform structure seen at onset is soon destroyed by secondary instabilities.

scholarly journals Crystal structure of poly[μ2-aqua-aqua(μ2-4-nitro-2,5,6-trioxo-1,2,5,6-tetrahydropyridin-3-olato)hemi-μ4-oxalato-barium(II)]

2015 ◽  
Vol 71 (5) ◽  
pp. 459-462 ◽  
Author(s):  
Rusul Alabada ◽  
Olga Kovalchukova ◽  
Irina Polyakova ◽  
Svetlana Strashnova ◽  
Vladimir Sergienko
Keyword(s):  
Crystal Structure ◽  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Water Molecules ◽  
Two Dimensional ◽  
Supramolecular Framework ◽  
Screw Axis ◽  
Bond Lengths ◽  
Chelate Rings

In the title coordination polymer, [Ba(C5HN2O6)(C2O4)0.5(H2O)2]n, the tenfold coordination of the Ba centre consists of four O atoms from the two 4-nitro-2,5,6-trioxo-1,2,5,6-tetrahydropyridin-3-olate (L) anions, three O atoms of two oxalate anions and three water molecules. The Ba—O bond lengths fall in the range 2.698 (3)–2.978 (3) Å. TheLligand chelates two Ba atoms related by a screw axis, leading to formation of fused five- and six-membered chelate rings. Due to the bridging function of the ligands and water molecules, the complex monomers are connected into polymeric two-dimensional layers parallel to thebcplane. Intermolecular O—H...O hydrogen bonds link these layers into a three-dimensional supramolecular framework.

Poly[aqua[μ3-(pyridin-1-ium-3,5-diyl)diphosphonato-κ3O:O′:O′′][μ2-(pyridin-1-ium-3,5-diyl)diphosphonato-κ2O:O′]calcium(II)]

2012 ◽  
Vol 68 (2) ◽  
pp. m41-m44 ◽  
Author(s):  
Magdalena Wilk ◽  
Jan Janczak ◽  
Veneta Videnova-Adrabinska
Keyword(s):  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Calcium Ion ◽  
Three Dimensional ◽  
Organic Ligand ◽  
Two Dimensional ◽  
Diphosphonic Acid ◽  
One Dimensional ◽  
Octahedral Environment ◽  
Distorted Octahedral

The rigid organic ligand (pyridine-3,5-diyl)diphosphonic acid has been used to create the title novel three-dimensional coordination polymer, [Ca(C5H6NO6P2)2(H2O)]n. The six-coordinate calcium ion is in a distorted octahedral environment, formed by five phosphonate O atoms from five different (pyridin-1-ium-3,5-diyl)diphosphonate ligands, two of which are unique, and one water O atom. Two crystallographically independent acid monoanions,L1 andL2, serve to link metal centres using two different coordination modes,viz.η2μ2and η3μ3, respectively. The latter ligand,L2, forms a strongly undulated two-dimensional framework parallel to the crystallographicbcplane, whereas the former ligand,L1, is utilized in the formation of one-dimensional helical chains in the [010] direction. The two sublattices ofL1 andL2 interweave at the Ca2+ions to form a three-dimensional framework. In addition, multiple O—H...O and N—H...O hydrogen bonds stabilize the three-dimensional coordination network. Topologically, the three-dimensional framework can be simplified as a very unusual (2,3,5)-connected three-nodal net represented by the Schläfli symbol (4·82)(4·88·10)(8).

Instability of pressure-driven gas–liquid two-layer channel flows in two and three dimensions

2018 ◽  
Vol 849 ◽  
pp. 1-34 ◽  
Author(s):  
Lennon Ó Náraigh ◽  
Peter D. M. Spelt
Keyword(s):  
Flow Pattern ◽  
Linear Theory ◽  
Three Dimensional ◽  
Two Dimensions ◽  
Channel Flows ◽  
Three Dimensions ◽  
Nonlinear Behaviour ◽  
Two Dimensional ◽  
Vorticity Field ◽  
Flow Pattern Map

We study unstable waves in gas–liquid two-layer channel flows driven by a pressure gradient, under stable stratification, not assumed to be set in motion impulsively. The basis of the study is direct numerical simulation (DNS) of the two-phase Navier–Stokes equations in two and three dimensions for moderately large Reynolds numbers, accompanied by a theoretical description of the dynamics in the linear regime (Orr–Sommerfeld–Squire equations). The results are compared and contrasted across a range of density ratios $r=\unicode[STIX]{x1D70C}_{liquid}/\unicode[STIX]{x1D70C}_{gas}$. Linear theory indicates that the growth rate of small-amplitude interfacial disturbances generally decreases with increasing $r$; at the same time, the cutoff wavenumbers in both streamwise and spanwise directions increase, leading to an ever-increasing range of unstable wavenumbers, albeit with diminished growth rates. The analysis also demonstrates that the most dangerous mode is two-dimensional in all cases considered. The results of a comparison between the DNS and linear theory demonstrate a consistency between the two approaches: as such, the route to a three-dimensional flow pattern is direct in these cases, i.e. through the strong influence of the linear instability. We also characterize the nonlinear behaviour of the system, and we establish that the disturbance vorticity field in two-dimensional systems is consistent with a mechanism proposed previously by Hinch (J. Fluid Mech., vol. 144, 1984, p. 463) for weakly inertial flows. A flow-pattern map constructed from two-dimensional numerical simulations is used to describe the various flow regimes observed as a function of density ratio, Reynolds number and Weber number. Corresponding simulations in three dimensions confirm that the flow-pattern map can be used to infer the fate of the interface there also, and show strong three-dimensionality in cases that exhibit violent behaviour in two dimensions, or otherwise the development of behaviour that is nearly two-dimensional behaviour possibly with the formation of a capillary ridge. The three-dimensional vorticity field is also analysed, thereby demonstrating how streamwise vorticity arises from the growth of otherwise two-dimensional modes.

scholarly journals Six tris(bipyridyl)iron(II) complexes with 2-substituted 1,1,3,3-tetracyanopropenide, perchlorate and tetrafluoridoborate anions; order versus disorder, hydrogen bonding and C—N...π interactions

2018 ◽  
Vol 74 (12) ◽  
pp. 1717-1726
Author(s):  
Abderezak Addala ◽  
Zouaoui Setifi ◽  
Yukio Morimoto ◽  
Beñat Artetxe ◽  
Takashi Matsumoto ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Compound I ◽  
Π Interactions ◽  
Chain Compounds ◽  
Compound Ii ◽  
Ionic Components

Structures are reported for six closely related salts of tris(bipyridyl)iron(II) cations, namely tris(2,2′-bipyridine)iron(II) bis(1,1,3,3-tetracyano-2-methoxypropenide) 0.776-hydrate, [Fe(C10H8N2)3](C8H3N4O)2.0.776H2O, (I), tris(2,2′-bipyridine)iron(II) 1,1,3,3-tetracyano-2-(propylsulfanyl)propenide perchlorate, [Fe(C10H8N2)3](C10H7N4S)(ClO4), (II), tris(5,5′-dimethyl-2,2′-bipyridine)iron(II) 1,1,3,3-tetracyano-2-methoxypropenide tetrafluoridoborate ethanol 0.926-solvate, [Fe(C12H12N2)3](C8H3N4O)(BF4).0.926C2H2O, (III), tris(5,5′-dimethyl-2,2′-bipyridine)iron(II) 1,1,3,3-tetracyano-2-ethoxypropenide tetrafluoridoborate, [Fe(C12H12N2)3](C9H5N4O)(BF4), (IV), tris(5,5′-dimethyl-2,2′-bipyridine)iron(II) 1,1,3,3-tetracyano-2-(ethylsufanyl)propenide tetrafluoridoborate, [Fe(C12H12N2)3](C9H5N4S)(BF4), (V), and tris(5,5′-dimethyl-2,2′-bipyridine)iron(II) 1,1,3,3-tetracyano-2-propoxypropenide tetrafluoridoborate, [Fe(C12H12N2)3](C10H7N4O)(BF4), (VI). In compound (I), one of the anions is disordered over two sets of atomic sites with equal occupancies while, in the second anion, just one of the C(CN)2 units is disordered, again over two sets of atomic sites with equal occupancies: the anionic components are linked by multiple C—H...N hydrogen bonds to form a three-dimensional framework. In compound (II), the polynitrile anion is disordered over two sets of atomic sites with occupancies in the approximate ratio 3:1, while the perchlorate anion is disordered over three sets of atomic sites: there are C—N...π interactions between the cations and the polynitrile anion. The polynitrile anion in compound (III) is fully ordered, but the tetrafluoridoborate anion is disordered over two sets of atomic sites with occupancies 0.671 (4) and 0.329 (4): the cations and the tetrafluoridoborate anions are linked by C—H...F interactions to form an interrupted chain. Compounds (IV) and (V) are isostructural and all of the ionic components are fully ordered in both of them: the cations and tetrafluoridoborate anions are linked into C 2 2(12) chains. The polynitrile anion in compound (VI) is disordered over two sets of atomic sites with approximately equal occupancies, and here the chains formed by the cations and the tetrafluoridoborate anions are of the C 2 2(13) type.

Symmetrically 4,6-disubstituted 2-aminopyrimidines and 2-amino-5-nitrosopyrimidines: interplay of molecular, molecular–electronic and supramolecular structures

2004 ◽  
Vol 60 (1) ◽  
pp. 76-89 ◽  
Author(s):  
Antonio Quesada ◽  
Antonio Marchal ◽  
Manuel Melguizo ◽  
John N. Low ◽  
Christopher Glidewell
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Electronic Structures ◽  
Three Dimensional ◽  
Supramolecular Structures ◽  
Nitroso Compounds ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
Molecular Electronic ◽  
One Dimensional

The structures of six symmetrically 4,6-disubstituted 2-aminopyrimidines, four of them containing a 5-nitroso substituent, have been determined. The nitroso compounds, in particular, exhibit polarized molecular–electronic structures leading to extensive charge-assisted hydrogen bonding. The intermolecular interactions observed include hard hydrogen bonds of N—H...N and N—H...O types together with O—H...O and O—H...N types in 2-amino-4,6-bis(2-hydroxyethylamino)-5-nitrosopyrimidine; soft hydrogen bonds of the C—H...O type in both 2-amino-4,6-bis(morpholino)-5-nitrosopyrimidine (3) and 2-amino-4,6-bis(benzylamino)-5-nitrosopyrimidine (4), and of the C—H...π(arene) type in both 2-amino-4,6-bis(piperidino)pyrimidine (1) and 2-amino-5-nitroso-4,6-bis(3-pyridylmethoxy)pyrimidine (5); and aromatic π...π stacking interactions in 2-amino-5-nitroso-4,6-bis(3-pyridylmethoxy)pyrimidine. The supramolecular structures formed by the hard hydrogen bonds are finite, zero-dimensional in (1), one-dimensional in 2-amino-4,6-bis(3-pyridylmethoxy)pyrimidine (2), two-dimensional in both (3) and (4), and three-dimensional in both (5) and 2-amino-4,6-bis(2-hydroxyethylamino)-5-nitrosopyrimidine.

scholarly journals Nine N-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions

2006 ◽  
Vol 62 (4) ◽  
pp. 651-665 ◽  
Author(s):  
Silvia Cuffini ◽  
Christopher Glidewell ◽  
John N. Low ◽  
Aline G. de Oliveira ◽  
Marcus V. N. de Souza ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Supramolecular Structures ◽  
Three Dimensions ◽  
Compound Viii ◽  
Stacking Interactions ◽  
Compound I ◽  
Π Stacking ◽  
Compound Ii

Structures are reported here for eight further substituted N-aryl-2-chloronicotinamides, 2-ClC5H3NCONHC6H4 X-4′. When X = H, compound (I) (C12H9ClN2O), the molecules are linked into sheets by N—H...N, C—H...π(pyridyl) and C—H...π(arene) hydrogen bonds. For X = CH3, compound (II) (C13H11ClN2O, triclinic P\bar 1 with Z′ = 2), the molecules are linked into sheets by N—H...O, C—H...O and C—H...π(arene) hydrogen bonds. Compound (III), where X = F, crystallizes as a monohydrate (C12H8ClFN2O·H2O) and sheets are formed by N—H...O, O—H...O and O—H...N hydrogen bonds and aromatic π...π stacking interactions. Crystals of compound (IV), where X = Cl (C12H8Cl2N2O, monoclinic P21 with Z′ = 4) exhibit inversion twinning: the molecules are linked by N—H...O hydrogen bonds into four independent chains, linked in pairs by C—H...π(arene) hydrogen bonds. When X = Br, compound (V) (C12H8BrClN2O), the molecules are linked into sheets by N—H...O and C—H...N hydrogen bonds, while in compound (VI), where X = I (C12H8ClIN2O), the molecules are linked into a three-dimensional framework by N—H...O and C—H...π(arene) hydrogen bonds and an iodo...N(pyridyl) interaction. For X = CH3O, compound (VII) (C13H11ClN2O2), the molecules are linked into chains by a single N—H...O hydrogen bond. Compound (VIII) (C13H8ClN3O, triclinic P\bar 1 with Z′ = 2), where X = CN, forms a complex three-dimensional framework by N—H...N, C—H...N and C—H...O hydrogen bonds and two independent aromatic π...π stacking interactions.

scholarly journals Crystal structure of the two-dimensional coordination polymer poly[di-μ-bromido-bis(μ-tetrahydrothiophene)dicopper(I)]

2021 ◽  
Vol 77 (7) ◽  
pp. 744-748
Author(s):  
Michael Knorr ◽  
Lydie Viau ◽  
Yoann Rousselin ◽  
Marek M. Kubicki
Keyword(s):  
Crystal Structure ◽  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Supramolecular Network ◽  
Two Dimensional ◽  
Different Types ◽  
Secondary Building Units ◽  
Mecn Solution ◽  
Bonding Mode

The polymeric title compound, [Cu2Br2(C4H8S)2] n , CP1, represents an example of a two-dimensional coordination polymer resulting from reaction of CuBr with tetrahydrothiophene (THT) in MeCN solution. The two-dimensional layers consist of two different types of rhomboid-shaped dinuclear Cu(μ2-Br)2Cu secondary building units (SBUs); one with a quite loose Cu...Cu separation of 3.3348 (10) Å and a second one with a much closer intermetallic contact of 2.9044 (9) Å. These SBUs are interconnected through bridging THT ligands, in which the S atom acts as a four-electron donor bridging each Cu(μ2-Br)2Cu unit in a μ2-bonding mode. In the crystal, the layers are linked by very weak C—H...·Br hydrogen bonds with H...Br distances of 2.95 Å, thus giving rise to a three-dimensional supramolecular network.

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