Le Natur F, Calvez G, Guillou O
… +2 more, Daiguebonne C, Bernot K
Acta Crystallogr Sect E Struct Rep Online
· 2014 Dec · PMID 25552996
·
Full text
The crystal structure of the title compound {systematic name: octa-μ3-hydroxido-μ6-oxido-hexa-kis-[tetra-aqua-yttrium(III)] octa-iodide octa-hydrate}, is characterized by the presence of the centrosymmetric mol-ecular en...The crystal structure of the title compound {systematic name: octa-μ3-hydroxido-μ6-oxido-hexa-kis-[tetra-aqua-yttrium(III)] octa-iodide octa-hydrate}, is characterized by the presence of the centrosymmetric mol-ecular entity [Y6(μ6-O)(μ3-OH)8(H2O)24](8+), in which the six Y(3+) cations are arranged octa-hedrally around a μ6-O atom at the centre of the cationic complex. Each of the eight faces of the Y6 octa-hedron is capped by an μ3-OH group in the form of a distorted cube. In the hexa-nuclear entity, the Y(3+) cations are coordinated by the central μ6-O atom, the O atoms of four μ3-OH and of four water mol-ecules. The resulting coordination sphere of the metal ions is a capped square-anti-prism. The crystal packing is quite similar to that of the ortho-rhom-bic [Ln 6(μ6-O)(μ3-OH)8(H2O)24]I8·8H2O structures with Ln = La-Nd, Eu-Tb, Dy, except that the title compound exhibits a slight monoclinic distortion. The proximity of the cationic complexes and the lattice water mol-ecules leads to the formation of a three-dimensional hydrogen-bonded network of medium strength.
Nishibori E, Aoyagi S, Sakata M
… +2 more, Sakamoto R, Nishihara H
Acta Crystallogr Sect E Struct Rep Online
· 2014 Dec · PMID 25552995
·
Full text
In the title compound, [Fe(C5H5)(C27H16NO)], designed and synthesized to explore a new electron-donor (D) and -acceptor (A) conjugated complex, the two cyclo-penta-dienyl rings adopt an eclipsed conformation. The anthrac...In the title compound, [Fe(C5H5)(C27H16NO)], designed and synthesized to explore a new electron-donor (D) and -acceptor (A) conjugated complex, the two cyclo-penta-dienyl rings adopt an eclipsed conformation. The anthracene tricycle is distorted towards a butterfly conformation and the mean planes of the outer benzene rings are inclined each to other at 22.7 (3)°. In the crystal, mol-ecules are paired into inversion dimers via π-π inter-actions. Weak inter-molecular C-H⋯π inter-actions link further these dimers into one-dimensional columns along the b axis, with the ferrocenylethynyl arms arranged between the stacks to fill the voids.
Acta Crystallogr Sect E Struct Rep Online
· 2014 Dec · PMID 25552994
·
Full text
Poly[tris-(acetato-κ(2) O,O')(μ2-acetato-κ(3) O,O':O)tetra-kis-(μ3-acetato-κ(4) O,O':O:O')bis-(benzene-1,2-di-amine-κN)tetra-lead(II)], [Pb4(CH3COO)8(C6H8N2)2] n , (I), poly[(acetato-κ(2) O,O')(μ3-acetato-κ(4) O,O':O:O')...Poly[tris-(acetato-κ(2) O,O')(μ2-acetato-κ(3) O,O':O)tetra-kis-(μ3-acetato-κ(4) O,O':O:O')bis-(benzene-1,2-di-amine-κN)tetra-lead(II)], [Pb4(CH3COO)8(C6H8N2)2] n , (I), poly[(acetato-κ(2) O,O')(μ3-acetato-κ(4) O,O':O:O')(4-chloro-benzene-1,2-diamine-κN)lead(II)], [Pb(CH3COO)2(C6H7ClN2)] n , (II), and poly[(κ(2) O,O')(μ3-acetato-κ(4) O,O':O:O')(3,4-di-amino-benzo-nitrile-κN)lead(II)], [Pb(CH3COO)2(C7H7N3)] n , (III), have polymeric structures in which monomeric units are joined by bridging acetate ligands. All of the Pb(II) ions exhibit hemidirected coordination. The repeating unit in (I) is composed of four Pb(II) ions having O6, O6N, O7 and O6N coordination spheres, respectively, where N represents a monodentate benzene-1,2-di-amine ligand and O acetate O atoms. Chains along [010] are joined by bridging acetate ligands to form planes parallel to (10-1). (II) and (III) are isotypic and have one Pb(II) ion in the asymmetric unit that has an O6N coordination sphere. Pb2O2 units result from a symmetry-imposed inversion center. Polymeric chains parallel to [100] exhibit hydrogen bonding between the amine and acetate ligands. In (III), additional hydrogen bonds between cyano groups and non-coordinating amines join the chains by forming R 2 (2)(14) rings.
Acta Crystallogr Sect E Struct Rep Online
· 2014 Dec · PMID 25552993
·
Full text
The non-symmetric title mol-ecule, C32H34N2O5, is based on a tetra-substituted ethyl-enedi-amine backbone. The mol-ecular structure consists of three hy-droxy-benzyl groups and one 2-hy-droxy-5-methyl-benzaldehyde group...The non-symmetric title mol-ecule, C32H34N2O5, is based on a tetra-substituted ethyl-enedi-amine backbone. The mol-ecular structure consists of three hy-droxy-benzyl groups and one 2-hy-droxy-5-methyl-benzaldehyde group bonded to the N atoms of the di-amine unit. The ethyl-enedi-amine skeleton shows a regular extended conformation, while the spatial orientation of the phenol arms is governed by hydrogen bonds. In the 2-hy-droxy-5-methyl-benzaldehyde group, an intra-molecular S(6) O-H⋯O hydrogen bond is observed between the alcohol and aldehyde functions, and the neighbouring phenol arm participates in an intra-molecular S(6) O-H⋯N hydrogen bond. The third phenol group is involved in a bifurcated intra-molecular hydrogen bond with graph-set notation S(6) for O-H⋯N and O-H⋯O intra-molecular hydrogen bonds between neighbouring amine and phenol arms, respectively. Finally, the fourth phenol group acts as an acceptor in a bifurcated intra-molecular hydrogen bond and also acts as donor in an inter-molecular hydrogen bond, which connects inversion-related mol-ecules into dimers with R 4 (4)(8) ring motifs.
Acta Crystallogr Sect E Struct Rep Online
· 2014 Dec · PMID 25552992
·
Full text
In the title mol-ecular salt, C5H12N(+)·C6H4NO3 (-), the piperidine ring adopts a chair conformation and the cation is protonated at the N atom. In the anion, the nitro group is twisted at an angle of 10.30 (11)° with re...In the title mol-ecular salt, C5H12N(+)·C6H4NO3 (-), the piperidine ring adopts a chair conformation and the cation is protonated at the N atom. In the anion, the nitro group is twisted at an angle of 10.30 (11)° with respect to the attached benzene ring. In the crystal, N-H⋯O hydrogen bonds link adjacent anions and cations into infinite chains propagating along [100]. The chains are linked by C-H⋯π inter-actions, forming sheets lying parallel to (001).
Acta Crystallogr Sect E Struct Rep Online
· 2014 Dec · PMID 25552991
·
Full text
Two new trigonal and tetra-gonal polymorphs of the title compound, iodido-tris-(tetra-hydro-furan-κO)lithium, are presented, which both include the isolated ion pair Li(THF)3 (+)·I(-). One Li-I ion contact and three tetr...Two new trigonal and tetra-gonal polymorphs of the title compound, iodido-tris-(tetra-hydro-furan-κO)lithium, are presented, which both include the isolated ion pair Li(THF)3 (+)·I(-). One Li-I ion contact and three tetra-hydro-furan (THF) mol-ecules complete the tetra-hedral coordination of the lithium cation. The three-dimensional arrangement in the two polymorphs differs notably. In the trigonal structure, the ion pair is located on a threefold rotation axis of space group P-3 and only one THF mol-ecule is present in the asymmetric unit. In the crystal, strands of ion pairs parallel to [001] are observed with an eclipsed conformation of the THF mol-ecules relative to the Li⋯I axis of two adjacent ion pairs. In contrast, the tetra-gonal polymorph shows a much larger unit cell in which all atoms are located on general positions of the space group I41 cd. The resulting three-dimensional arrangement shows helical chains of ion pairs parallel to [001]. Apart from van der Waals contacts, no remarkable inter-molecular forces are present between the isolated ion pairs in both structures.
Noland WE, Kroll NJ, Huisenga MP
… +4 more, Yue RA, Lang SB, Klein ND, Tritch KJ
Acta Crystallogr Sect E Struct Rep Online
· 2014 Dec · PMID 25552990
·
Full text
The title tetrone compound, C32H22N2O4S· 0.5C8H10, is the major product (50% yield) of an attempted Diels-Alder reaction of 2-(α-styr-yl)thio-phene with N-phenyl-male-imide (2 equivalents) in toluene. Recrystallization o...The title tetrone compound, C32H22N2O4S· 0.5C8H10, is the major product (50% yield) of an attempted Diels-Alder reaction of 2-(α-styr-yl)thio-phene with N-phenyl-male-imide (2 equivalents) in toluene. Recrystallization of the resulting powder from p-xylene gave the title hemisolvate; the p-xylene mol-ecule is located about an inversion center. In the crystal, the primary tetrone contacts are between a carbonyl O atom and the four flagpole H atoms of the bi-cyclo-[2.2.2]octene core, forming chains along [001].
Kinghat R, Knorr M, Rousselin Y
… +1 more, Kubicki MM
Acta Crystallogr Sect E Struct Rep Online
· 2014 Dec · PMID 25552989
·
Full text
The centrosymmetric dinuclear title compound, [Cu2I2(C2H6OS)2(C18H15P)2], represents the first example of a CuI complex ligated by an O-bound dimethyl sulfoxide ligand. In the crystal, the two tetrahedrally coordinated C...The centrosymmetric dinuclear title compound, [Cu2I2(C2H6OS)2(C18H15P)2], represents the first example of a CuI complex ligated by an O-bound dimethyl sulfoxide ligand. In the crystal, the two tetrahedrally coordinated Cu(I) atoms are bridged by two μ2-iodido ligands in an almost symmetrical rhomboid geometry. The loose Cu⋯Cu contact of 2.9874 (8) Å is longer than the sum of the van der Waals radii of two Cu atoms (2.8 Å), excluding a significant cupriophilic inter-action in the actual dimer. C-H⋯O and C-H⋯I hydrogen bonding interactions as well as C-H⋯π(aryl) interactions stabilize the three-dimensional supramolecular network.
Belamri Y, Setifi F, Francuski BM
… +2 more, Novaković SB, Zouaoui S
Acta Crystallogr Sect E Struct Rep Online
· 2014 Dec · PMID 25552988
·
Full text
In the title compound, [Fe(C12H12N2)(H2O)4]SO4, the central Fe(II) ion is coordinated by two N atoms from the 5,5'-dimethyl-2,2'-bi-pyridine ligand and four water O atoms in a distorted octa-hedral geometry. The Fe-O coo...In the title compound, [Fe(C12H12N2)(H2O)4]SO4, the central Fe(II) ion is coordinated by two N atoms from the 5,5'-dimethyl-2,2'-bi-pyridine ligand and four water O atoms in a distorted octa-hedral 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 octa-hedral 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 the ab plane. Neighbouring layers further inter-act by means of C-H⋯O and π-π inter-actions involving the laterally positioned bi-pyridine rings. The perpen-dicular distance between π-π inter-acting rings is 3.365 (2) Å, with a centroid-centroid distance of 3.702 (3) Å.
Krishnaswamy G, Suchetan PA, Sreenivasa S
… +3 more, Naveen S, Lokanath NK, Aruna Kumar DB
Acta Crystallogr Sect E Struct Rep Online
· 2014 Dec · PMID 25552987
·
Full text
In the title hydrate, C12H12O4·1.5H2O, one of the water mol-ecules in the asymmetric unit is located on a twofold rotation axis. The mol-ecule of the benzo-furan derivative is essentially planar (r.m.s. deviation for the...In the title hydrate, C12H12O4·1.5H2O, one of the water mol-ecules in the asymmetric unit is located on a twofold rotation axis. The mol-ecule of the benzo-furan derivative is essentially planar (r.m.s. deviation for the non-H atoms = 0.021 Å), with the ester group adopting a fully extended conformation. In the crystal, O-H⋯O hydrogen bonds between the water mol-ecules and the hy-droxy groups generate a centrosymmetric R 6 (6)(12) ring motif. These R 6 (6)(12) rings are fused, forming a one-dimensional motif extending along the c-axis direction.
Acta Crystallogr Sect E Struct Rep Online
· 2014 Dec · PMID 25552986
·
Full text
The title compounds, C36H28OP2S2, (1), and C36H28OP2Se2, (2), exhibit remarkably similar structures although they are not isomorphous. The whole mol-ecule of compound (2) is generated by twofold symmetry, with the ether...The title compounds, C36H28OP2S2, (1), and C36H28OP2Se2, (2), exhibit remarkably similar structures although they are not isomorphous. The whole mol-ecule of compound (2) is generated by twofold symmetry, with the ether O atom located on the twofold axis. Both compounds have intra-molecular π-π inter-actions between terminal phenyl rings with centroid-centroid distances of 3.6214 (16) and 3.8027 (14) Å in (1) and (2), respectively. In the crystal of (1), short C-H⋯S hydrogen bonds link the mol-ecules, forming chains along [001], while in (2) there are no analogous C-H⋯Se inter-actions present.
Acta Crystallogr Sect E Struct Rep Online
· 2014 Dec · PMID 25552985
·
Full text
The asymmetric unit of the title compound, [Co(C24H30N2P2)(CO)3][Co(CO)4]·0.25C7H8, consists of two crystallographically independent cations with similar conformations, two anions, and one-half of a toluene mol-ecule dis...The asymmetric unit of the title compound, [Co(C24H30N2P2)(CO)3][Co(CO)4]·0.25C7H8, consists of two crystallographically independent cations with similar conformations, two anions, and one-half of a toluene mol-ecule disordered about an inversion centre. In the cations, a Co/P/N/P four-membered slightly bent metallacycle is the key structural element. The pendant NH group is not coordinated to the Co(I) atom, which displays a distorted trigonal-bipyramidal coordination geometry. Weak inter-ionic hydrogen bonds are observed between the NH groups and a carbonyl group of the tetrahedral [Co(CO)4](-) anions.
Acta Crystallogr Sect E Struct Rep Online
· 2014 Dec · PMID 25552984
·
Full text
The structures of the ammonium salts of phen-oxy-acetic acid, NH4 (+)·C8H6O3 (-), (I), (4-fluoro-phen-oxy)acetic acid, NH4 (+)·C8H5FO3 (-), (II), and the herbicidally active (4-chloro-2-methyl-phen-oxy)acetic acid (MCPA)...The structures of the ammonium salts of phen-oxy-acetic acid, NH4 (+)·C8H6O3 (-), (I), (4-fluoro-phen-oxy)acetic acid, NH4 (+)·C8H5FO3 (-), (II), and the herbicidally active (4-chloro-2-methyl-phen-oxy)acetic acid (MCPA), NH4 (+)·C9H8ClO3 (-)·0.5H2O, (III) have been determined. All have two-dimensional layered structures based on inter-species ammonium N-H⋯O hydrogen-bonding associations, which give core substructures consisting primarily of conjoined cyclic motifs. The crystals of (I) and (II) are isomorphous with the core comprising R 1 (2)(5), R 1 (2)(4) and centrosymmetric R 4 (2)(8) ring motifs, giving two-dimensional layers lying parallel to (100). In (III), the water mol-ecule of solvation lies on a crystallographic twofold rotation axis and bridges two carboxyl O atoms in an R 4 (4)(12) hydrogen-bonded motif, creating two R 4 (3)(10) rings, which together with a conjoined centrosymmetric R 4 (2)(8) ring incorporating both ammonium cations, generate two-dimensional layers lying parallel to (100). No π-π ring associations are present in any of the structures.
Acta Crystallogr Sect E Struct Rep Online
· 2014 Dec · PMID 25552983
·
Full text
The title compound, C25H25N3O, comprises a 2-amino-pyridine ring fused with a cyclo-heptane ring, which adopts a chair conformation. The central pyridine ring (r.m.s. deviation = 0.013 Å) carries three substituents, viz....The title compound, C25H25N3O, comprises a 2-amino-pyridine ring fused with a cyclo-heptane ring, which adopts a chair conformation. The central pyridine ring (r.m.s. deviation = 0.013 Å) carries three substituents, viz. a benzyl-amino group, a meth-oxy-phenyl ring and a carbo-nitrile group. The N atom of the carbo-nitrile group is significantly displaced [by 0.2247 (1) Å] from the plane of the pyridine ring, probably due to steric crowding involving the adjacent substituents. The phenyl and benzene rings are inclined to one another by 58.91 (7)° and to the pyridine ring by 76.68 (7) and 49.80 (6)°, respectively. In the crystal, inversion dimers linked by pairs of N-H⋯Nnitrile hydrogen bonds generate R 2 (2)(14) loops. The dimers are linked by C-H⋯π and slipped parallel π-π inter-actions [centroid-centroid distance = 3.6532 (3) Å] into a three-dimensional structure.
Acta Crystallogr Sect E Struct Rep Online
· 2014 Dec · PMID 25552982
·
Full text
The title compound, C21H12Cl2N2O3, is a 1,4-diaroyl pyrazole derivative and has three aromatic rings. The dihedral angles between the naphthalene ring system and the pyrazole ring, the pyrazole and phenyl rings and the n...The title compound, C21H12Cl2N2O3, is a 1,4-diaroyl pyrazole derivative and has three aromatic rings. The dihedral angles between the naphthalene ring system and the pyrazole ring, the pyrazole and phenyl rings and the naphthalene ring system and the phenyl ring are 49.44 (13), 49.87 (16) and 0.58 (11)°, respectively. The phenolic proton forms an intra-molecular O-H⋯O hydrogen bond with an adjacent carbonyl O atom. In the crystal, the mol-ecules are linked through stacking inter-actions between the pyrazole rings [centroid-centroid distances = 3.546 (3)] and between the naphthalene ring system and the phenyl ring [centroid-centroid distances = 3.609 (4) Å] along the a-axis direction. The mol-ecules are further connected through C-H⋯O hydrogen bonds, forming inversion dimers.
Acta Crystallogr Sect E Struct Rep Online
· 2014 Dec · PMID 25552981
·
Full text
The title compound, [Ni(C15H11N3)2][Au(CN)2]2, is an ionic compound composed of bis-(2,2':6',2''-terpyridine)-nickel(II) dications and dicyanidoaurate(I) anions in a 1:2 ratio. The two tridentate terpyridine ligands defi...The title compound, [Ni(C15H11N3)2][Au(CN)2]2, is an ionic compound composed of bis-(2,2':6',2''-terpyridine)-nickel(II) dications and dicyanidoaurate(I) anions in a 1:2 ratio. The two tridentate terpyridine ligands define the coordination of the Ni(2+) cation, resulting in a nearly octa-hedral coordination sphere, although there is not any imposed crystallographic symmetry about the Ni(2+) site. The two nearly linear dicyanidoaurate(I) anions [C-Au-C = 179.0 (2) and 178.2 (2)°] contain a short aurophilic inter-action of 3.1017 (3) Å. The structure does not demonstrate any π-π stacking. Non-classical C-H⋯N inter-actions between the cations and anions build up a three-dimensional network.
Acta Crystallogr Sect E Struct Rep Online
· 2014 Dec · PMID 25552980
·
Full text
The formation of different complexes in aqueous solutions is an important step in understanding the behavior of zinc chloride in water. The structure of concentrated ZnCl2 solutions is governed by coordination competitio...The formation of different complexes in aqueous solutions is an important step in understanding the behavior of zinc chloride in water. The structure of concentrated ZnCl2 solutions is governed by coordination competition of Cl(-) and H2O around Zn(2+). According to the solid-liquid phase diagram, the title compounds were crystallized below room temperature. The structure of ZnCl2·2.5H2O contains Zn(2+) both in a tetra-hedral coordination with Cl(-) and in an octa-hedral environment defined by five water mol-ecules and one Cl(-) shared with the [ZnCl4](2-) unit. Thus, these two different types of Zn(2+) cations form isolated units with composition [Zn2Cl4(H2O)5] (penta-aqua-μ-chlorido-tri-chlorido-di-zinc). The trihydrate {hexa-aqua-zinc tetra-chlorido-zinc, [Zn(H2O)6][ZnCl4]}, consists of three different Zn(2+) cations, one of which is tetra-hedrally coordinated by four Cl(-) anions. The two other Zn(2+) cations are each located on an inversion centre and are octa-hedrally surrounded by water mol-ecules. The [ZnCl4] tetra-hedra and [Zn(H2O)6] octa-hedra are arranged in alternating rows parallel to [001]. The structure of the 4.5-hydrate {hexa-aqua-zinc tetra-chlorido-zinc trihydrate, [Zn(H2O)6][ZnCl4]·3H2O}, consists of isolated octa-hedral [Zn(H2O)6] and tetra-hedral [ZnCl4] units, as well as additional lattice water mol-ecules. O-H⋯O hydrogen bonds between the water mol-ecules as donor and ZnCl4 tetra-hedra and water mol-ecules as acceptor groups leads to the formation of a three-dimensional network in each of the three structures.
Acta Crystallogr Sect E Struct Rep Online
· 2014 Dec · PMID 25552979
·
Full text
The title compounds, strontium perchlorate trihydrate {di-μ-aqua-aquadi-μ-perchlorato-strontium, [Sr(ClO4)2(H2O)3] n }, strontium perchlorate tetra-hydrate {di-μ-aqua-bis-(tri-aqua-diperchloratostrontium), [Sr2(ClO4)4(H2...The title compounds, strontium perchlorate trihydrate {di-μ-aqua-aquadi-μ-perchlorato-strontium, [Sr(ClO4)2(H2O)3] n }, strontium perchlorate tetra-hydrate {di-μ-aqua-bis-(tri-aqua-diperchloratostrontium), [Sr2(ClO4)4(H2O)8]} and strontium perchlorate nona-hydrate {hepta-aqua-diperchloratostrontium dihydrate, [Sr(ClO4)2(H2O)7]·2H2O}, were crystallized at low temperatures according to the solid-liquid phase diagram. The structures of the tri- and tetra-hydrate consist of Sr(2+) cations coordinated by five water mol-ecules and four O atoms of four perchlorate tetra-hedra in a distorted tricapped trigonal-prismatic coordination mode. The asymmetric unit of the trihydrate contains two formula units. Two [SrO9] polyhedra in the trihydrate are connected by sharing water mol-ecules and thus forming chains parallel to [100]. In the tetra-hydrate, dimers of two [SrO9] polyhedra connected by two sharing water mol-ecules are formed. The structure of the nona-hydrate contains one Sr(2+) cation coordinated by seven water mol-ecules and by two O atoms of two perchlorate tetra-hedra (point group symmetry ..m), forming a tricapped trigonal prism (point group symmetry m2m). The structure contains additional non-coordinating water mol-ecules, which are located on twofold rotation axes. O-H⋯O hydrogen bonds between the water mol-ecules as donor and ClO4 tetra-hedra and water mol-ecules as acceptor groups lead to the formation of a three-dimensional network in each of the three structures.
Acta Crystallogr Sect E Struct Rep Online
· 2014 Dec · PMID 25552978
·
Full text
The asymmetric unit of the title compound, {[Ag(C11H11N3)]NO3·2(CH3)2SO} n , comprises one Ag(I) atom, one N-(pyridine-4-ylmeth-yl)pyridine-3-amine ligand, one nitrate anion and two dimethyl sulfoxide mol-ecules. The Ag(...The asymmetric unit of the title compound, {[Ag(C11H11N3)]NO3·2(CH3)2SO} n , comprises one Ag(I) atom, one N-(pyridine-4-ylmeth-yl)pyridine-3-amine ligand, one nitrate anion and two dimethyl sulfoxide mol-ecules. The Ag(I) atoms are bridged by two pyridine N atoms from two symmetry-related ligands, forming a helical chain and adopting a slightly distorted linear coordination geometry [N-Ag-N = 175.37 (8)°]. The helical chain, with a pitch length of 16.7871 (8) Å, propagates along the b-axis direction. In the crystal, symmetry-related right- and left-handed helical chains are alternately arranged via Ag⋯Ag inter-actions [3.4145 (4) Å] and π-π stacking inter-actions [centroid-centroid distance = 3.650 (2) Å], resulting in the formation of a two-dimensional supra-molecular network extending parallel to (100). Weak Ag⋯O [2.775 (2), 3.169 (4) and 2.690 (2) Å] inter-actions, as well as several N-H⋯O and C-H⋯O hydrogen-bonding inter-actions, contribute to the stabilization of the crystal structure. Parts of the dimethyl sulfoxide solvent molecule are disordered over two sets of sites in a 0.937 (3):0.063 (3) ratio.
Acta Crystallogr Sect E Struct Rep Online
· 2014 Dec · PMID 25552977
·
Full text
A novel two-dimensional→three-dimensional Cu(II) coordination polymer, {[Cu2(C10H14N4)5](NO3)4·4H2O} n , based on the 1,1'-(butane-1,4-di-yl)bis-(1H-imidazole) (biim) ligand and containing one crystallographically unique...A novel two-dimensional→three-dimensional Cu(II) coordination polymer, {[Cu2(C10H14N4)5](NO3)4·4H2O} n , based on the 1,1'-(butane-1,4-di-yl)bis-(1H-imidazole) (biim) ligand and containing one crystallographically unique Cu(II) atom, has been synthesized under hydro-thermal conditions. The Cu(II) atom is coordinated by five N atoms from biim ligands, one of which has crystallographically imposed inversion symmetry, giving rise to a slightly distorted CuN5 square-pyramidal geometry. The Cu(II) cations are linked by biim ligands to give a 4(4) layer; the layers are further bridged by biim ligands, generating a double sheet with a thickness of 14.61 Å. The sheet features rhombic Cu4(biim)4 windows built up from four Cu(II) centers and four biim ligands with dimensions of 14.11 × 14.07 Å(2). Each window of a layer is penetrated directly by the biim ligand of the adjacent net, giving a two-dimensional→three-dimensional entangled framework.