Polynuclear Co(II) and Cu(II) complexes of tetraacetylethane: CuII2(dpa)2(tae)(O2CCF3)2, {[CuII2(dpa)2(tae)(4,4'-bipy)](O2CCF3)2}n, and [CoII2(dpa)4(tae)](O2CCH3)2(H2O)2, dpa = 2,2'-dipyridylamine, tae = tetraacetylethane dianion

1999 ◽  
Vol 77 (8) ◽  
pp. 1424-1435 ◽  
Author(s):  
Yousheng Zhang ◽  
Steven R Breeze ◽  
Suning Wang ◽  
John E Greedan ◽  
N P Raju ◽  
...  
Keyword(s):  
Solid State ◽  
Molecular Sieve ◽  
Three Dimensional ◽  
Chain Structure ◽  
Dinuclear Complex ◽  
Dimensional Structure ◽  
Polymeric Compound ◽  
Bridging Ligand ◽  
Ferromagnetic Exchange ◽  
Hydrogen Bonded

The syntheses and structures of copper(II) and cobalt(II) complexes employing tetraacetylethane as the bridging ligand have been investigated. The reaction of Cu(O2CCF3)2 with tetraacetylethane (tae) and 2,2'-dipyridylamine (dpa) yielded a dinuclear complex CuII2(dpa)2(tae)(O2CCF3)2 (1), which has an extended hydrogen-bonded chain structure in the solid state. The reaction of 4,4'-dipyridyl (4,4'-bipy) with compound 1 resulted in the formation of a polymeric compound {[CuII2(dpa)2(tae)(4,4'-bipy)](O2CCF3)2}n (2), where the dinuclear unit is cross-linked by the 4,4'-dipyridyl ligand. The reaction of Co(O2CCH3)2 with tetraacetylethane and 2,2'-dipyridylamine yielded a helical dinuclear complex [CoII2(dpa)4(tae)](O2CCH3)2(H2O)2 (3), which forms a hydrogen-bonded band architecture in the solid state. The three-dimensional structure of 3 has molecular sieve-like channels that host methanol molecules reversibly. While only either negligible or weak magnetic exchanges appear to be present in compounds 1 and 2, there appears to be a significant ferromagnetic exchange in 3, which is likely caused by orbital orthogonality of the Co(II) ions, as supported by the crystal structure and EHMO calculations.Key words: cobalt, copper, polynuclear, tetraacetylethane complex, magnetism.

scholarly journals Phenol Derivatives as Co-Crystallized Templates to Modulate Trimesic-Acid-Based Hydrogen-Bonded Organic Molecular Frameworks

Crystals ◽  
2021 ◽  
Vol 11 (4) ◽  
pp. 409
Author(s):  
Guangchuan Ou ◽  
Qiong Wang ◽  
Qiang Zhou ◽  
Xiaofeng Wang
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Chain Structure ◽  
Dimensional Structure ◽  
Spectroscopy Analysis ◽  
Phenol Derivatives ◽  
Trimesic Acid ◽  
Cyclic Network ◽  
Framework Compounds ◽  
Hydrogen Bonded

Five host−guest trimesic-acid-based hydrogen-bonds framework compounds with different guests, namely [(TMA)4·(TMB)3] (1), [(TMA)2·(DMB)1.5] (2), [(TMA)6·(MP)] (3), [(TMA)·(EP)] (4) and [(TMA)·(PP)] (5) (TMA = trimesic acid, TMB = 1,3,5-trimethoxybenzene, DMB = 1,4-dimethoxybenzene, MP = 4-methoxyphenol, EP = 4-ethoxyphenol and PP = 4-propoxyphenol), were obtained through co-crystallization, and were characterized by elemental analysis, infrared spectroscopy analysis, and thermogravimetric analysis. The trimesic acid molecules comprise a hydrogen bonding six-membered cyclic host network that is found in a two-dimensional arrangement in compounds 1 and 2, and in a nine-fold interpenetrated three-dimensional structure in compound 3. In compounds 4 and 5, the trimesic acid and EP/PP molecules form a hydrogen-bonded six-membered cyclic network, resulting in a one-dimensional chain structure through O−H…O hydrogen bonds.

scholarly journals Crystal structure of a polymeric calcium levulinate dihydrate:catena-poly[[diaquacalcium]-bis(μ2-4-oxobutanoato)]

2015 ◽  
Vol 71 (5) ◽  
pp. 494-497
Author(s):  
Ananda S. Amarasekara ◽  
Dominique T. Sterling-Wells ◽  
Carlos Ordonez ◽  
Marie-Josiane Ohoueu ◽  
Marina S. Fonari
Keyword(s):  
Hydrogen Bonds ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Axial Direction ◽  
Chain Structure ◽  
Dimensional Structure ◽  
Polymeric Chain ◽  
Water Molecules ◽  
Carboxylate Ligands ◽  
Length Range

In the title calcium levulinate complex, [Ca(C5H7O3)2(H2O)2]n, the Ca2+ion lies on a twofold rotation axis and is octacoordinated by two aqua ligands and six O atoms from four symmetry-related carboxylate ligands, giving a distorted square-antiprismatic coordination stereochemistry [Ca—O bond-length range = 2.355 (1)–2.599 (1) Å]. The levulinate ligands act both in a bidentate carboxylO,O′-chelate mode and in a bridging mode through one carboxyl O atom with an inversion-related Ca2+atom, giving a Ca...Ca separation of 4.0326 (7) Å. A coordination polymeric chain structure is generated, extending along thec-axial direction. The coordinating water molecules act as double donors and participate in intra-chain O—H...O hydrogen bonds with carboxyl O atoms, and in inter-chain O—H...O hydrogen bonds with carbonyl O atoms, thus forming an overall three-dimensional structure.

A new two-dimensional managnese(II) coordination polymer constructed by 2,2′-(1,2-phenylene)bis(1H-imidazole-4,5-dicarboxylate)

2018 ◽  
Vol 74 (5) ◽  
pp. 599-603 ◽  
Author(s):  
Yan-Ju Liu ◽  
Di Cheng ◽  
Ya-Xue Li ◽  
Xiang-Ru Meng ◽  
Huai-Xia Yang
Keyword(s):  
Solid State ◽  
Coordination Polymer ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Coordination Geometry ◽  
Two Dimensional ◽  
Carboxylate Ligands ◽  
Rich Variety ◽  
Distorted Octahedral ◽  
Solvothermal Conditions

In recent years, N-heterocyclic carboxylate ligands have attracted much interest in the preparation of new coordination polymers since they contain N-atom donors, as well as O-atom donors, and have a rich variety of coordination modes which can lead to polymers with intriguing structures and interesting properties. A new two-dimensional coordination polymer, namely poly[[μ3-2,2′-(1,2-phenylene)bis(4-carboxy-1H-imidazole-5-carboxylato)-κ6 O 4,N 3,N 3′,O 4′:O 5:O 5′]manganese(II)], [Mn(C16H8N4O8)] n or [Mn(H4Phbidc)] n , has been synthesized by the reaction of Mn(OAc)2·4H2O (OAc is acetate) with 2,2′-(1,2-phenylene)bis(1H-imidazole-4,5-dicarboxylic acid) (H6Phbidc) under solvothermal conditions. In the polymer, each MnII ion is six-coordinated by two N atoms from one H4Phbidc2− ligand and by four O atoms from three H4Phbidc2− ligands, forming a significantly distorted octahedral MnN2O4 coordination geometry. The MnII ions are linked by hexadentate H4Phbidc2− ligands, leading to a two-dimensional structure parallel to the ac plane. In the crystal, adjacent layers are further connected by N—H...O hydrogen bonds, forming a three-dimensional structure in the solid state.

scholarly journals Crystal structures and hydrogen bonding in the co-crystalline adducts of 3,5-dinitrobenzoic acid with 4-aminosalicylic acid and 2-hydroxy-3-(1H-indol-3-yl)propenoic acid

2014 ◽  
Vol 70 (10) ◽  
pp. 183-187 ◽  
Author(s):  
Graham Smith ◽  
Daniel E. Lynch
Keyword(s):  
Hydrogen Bonding ◽  
Three Dimensional ◽  
Acid Group ◽  
Dimensional Structure ◽  
Aminosalicylic Acid ◽  
Amino Groups ◽  
Propenoic Acid ◽  
Unit Graph ◽  
Ring Centroid ◽  
Hydrogen Bonded

The structures of the co-crystalline adducts of 3,5-dinitrobenzoic acid (3,5-DNBA) with 4-aminosalicylic acid (PASA), the 1:1 partial hydrate, C7H4N2O6·C7H7NO3·0.2H2O, (I), and with 2-hydroxy-3-(1H-indol-3-yl)propenoic acid (HIPA), the 1:1:1d6-dimethyl sulfoxide solvate, C7H4N2O6·C11H9NO3·C2D6OS, (II), are reported. The crystal substructure of (I) comprises two centrosymmetric hydrogen-bondedR22(8) homodimers, one with 3,5-DNBA, the other with PASA, and anR22(8) 3,5-DNBA–PASA heterodimer. In the crystal, inter-unit amine N—H...O and water O—H...O hydrogen bonds generate a three-dimensional supramolecular structure. In (II), the asymmetric unit consists of the three constituent molecules, which form an essentially planar cyclic hydrogen-bonded heterotrimer unit [graph setR32(17)] through carboxyl, hydroxy and amino groups. These units associate across a crystallographic inversion centre through the HIPA carboxylic acid group in anR22(8) hydrogen-bonding association, giving a zero-dimensional structure lying parallel to (100). In both structures, π–π interactions are present [minimum ring-centroid separations = 3.6471 (18) Å in (I) and 3.5819 (10) Å in (II)].

The heterobifunctional ligand 5-[4-(1,2,4-triazol-4-yl)phenyl]-1H-tetrazole and its role in the construction of a CdIImetal–organic chain structure

2012 ◽  
Vol 68 (10) ◽  
pp. m291-m294
Author(s):  
Andrey B. Lysenko
Keyword(s):  
Hydrogen Bond ◽  
Three Dimensional ◽  
Organic Ligand ◽  
Chain Structure ◽  
Polar Space ◽  
Hydrogen Bond Donor ◽  
Donor Acceptor ◽  
A Chain ◽  
Water Ligands ◽  
Hydrogen Bonded

5-[4-(1,2,4-Triazol-4-yl)phenyl]-1H-tetrazole, C9H7N7, (I), an asymmetric heterobifunctional organic ligand containing triazole (tr) and tetrazole (tz) termini linked directly through a 1,4-phenylene spacer, crystallizes in the polar space groupPc. The heterocyclic functions, serving as single hydrogen-bond donor (tz) or acceptor (tr) units, afford hydrogen-bonded zigzag chains with no crystallographic centre of inversion. In the structure ofcatena-poly[[diaquacadmium(II)]bis{μ2-5-[4-(1,2,4-triazol-4-yl)phenyl]tetrazol-1-ido-κ2N1:N1′}], [Cd(C9H6N7)2(H2O)2]n, (II), the CdIIdication resides on a centre of inversion in an octahedral {N4O2} environment. In the equatorial plane, the CdIIpolyhedron is built up from four N atoms of two kinds, namely oftrans-coordinating tr and tz fragments [Cd—N = 2.2926 (17) and 2.3603 (18) Å], and the coordinating aqua ligands occupy the two apical sites. The metal centres are separated at a distance of 11.1006 (7) Å by means of the double-bridging tetrazolate anion,L−, forming a chain structure. The water ligands and tz fragments interact with one another, like a double hydrogen-bond donor–acceptor synthon, leading to a hydrogen-bonded three-dimensional array.

Structure and conformation of the anticodon nucleoside 5-methoxyuridine in the solid state and in solution

1983 ◽  
Vol 61 (10) ◽  
pp. 2299-2304 ◽  
Author(s):  
George I. Birnbaum ◽  
Wayne J. P. Blonski ◽  
Frank E. Hruska
Keyword(s):  
Solid State ◽  
Three Dimensional ◽  
Direct Methods ◽  
Pyrimidine Ring ◽  
Dimensional Structure ◽  
Side Chain ◽  
Monoclinic Space Group ◽  
Hydrogen Atoms ◽  
Cell Dimensions ◽  
Enol Tautomer

The three-dimensional structure of 5-methoxyuridine (mo5U) was determined with much higher precision than in a previous study (Hillen etal. J. Carbohydr. Nucleosides Nucleotides, 5, 23 (1978)). The crystals belong to the monoclinic space group P21 and the cell dimensions are a = 8.916(2), b = 14.372(2), c = 4.714(1) Å, β = 97.44(2)°. Intensity data were measured with a diffractometer and the structure was solved by direct methods. Least-squares refinement, which included all hydrogen atoms, converged at R = 0.031. The conformation about the glycosyl bond is anti (χCN = 23.1°), the pucker of the ribose ring is C(3′)endo, and the conformation of the —CH2OH side chain is gauche+. A comparison of the bond lengths N(3)—C(4) and C(4)—O(4) with those in uridine does not support the conclusion of Hillen etal. about a shift to the enol tautomer in mo5U. However, there are other changes in the geometry of the pyrimidine ring due to substitution at C(5). A conformational analysis, based on 1H and 13C nmr data, shows that the preferred conformation in solution is that observed in the solid state.

The effect of three-dimensional structure on the solid state isotope exchange of hydrogen in polypeptides with spillover hydrogen

2003 ◽  
Vol 31 (6) ◽  
pp. 453-463 ◽  
Author(s):  
Yu.A. Zolotarev ◽  
A.K. Dadayan ◽  
Yu.A. Borisov ◽  
E.M. Dorokhova ◽  
V.S. Kozik ◽  
...  
Keyword(s):  
Solid State ◽  
Isotope Exchange ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Three Dimensional Structure ◽  
Spillover Hydrogen

scholarly journals Hydrogen-bonded two- and three-dimensional polymeric structures in the ammonium salts of 3,5-dinitrobenzoic acid, 4-nitrobenzoic acid and 2,4-dichlorobenzoic acid

2014 ◽  
Vol 70 (3) ◽  
pp. 315-319 ◽  
Author(s):  
Graham Smith
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Ammonium Salts ◽  
Dimensional Structure ◽  
Water Molecules ◽  
Carboxylate Group ◽  
Two Dimensional ◽  
Structure Extension ◽  
Polymeric Structures ◽  
Hydrogen Bonded

The structures of ammonium 3,5-dinitrobenzoate, NH4+·C7H3N2O6−, (I), ammonium 4-nitrobenzoate dihydrate, NH4+·C7H4NO4−·2H2O, (II), and ammonium 2,4-dichlorobenzoate hemihydrate, NH4+·C7H3Cl2O2−·0.5H2O, (III), have been determined and their hydrogen-bonded structures are described. All three salts form hydrogen-bonded polymeric structures,viz.three-dimensional in (I) and two-dimensional in (II) and (III). With (I), a primary cation–anion cyclic association is formed [graph setR43(10)] through N—H...O hydrogen bonds, involving a carboxylate group with both O atoms contributing to the hydrogen bonds (denoted O,O′-carboxylate) on one side and a carboxylate group with one O atom involved in two hydrogen bonds (denoted O-carboxylate) on the other. Structure extension involves N—H...O hydrogen bonds to both carboxylate and nitro O-atom acceptors. With structure (II), the primary inter-species interactions and structure extension into layers lying parallel to (001) are through conjoined cyclic hydrogen-bonding motifs,viz.R43(10) (one cation, an O,O′-carboxylate group and two water molecules) and centrosymmetricR42(8) (two cations and two water molecules). The structure of (III) also has conjoinedR43(10) and centrosymmetricR42(8) motifs in the layered structure but these differ in that the first motif involves one cation, an O,O′-carboxylate group, an O-carboxylate group and one water molecule, and the second motif involves two cations and two O-carboxylate groups. The layers lie parallel to (100). The structures of salt hydrates (II) and (III), displaying two-dimensional layered arrays through conjoined hydrogen-bonded nets, provide further illustration of a previously indicated trend among ammonium salts of carboxylic acids, but the anhydrous three-dimensional structure of (I) is inconsistent with that trend.

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