scholarly journals Novel Coordination Mode in the Potassium Mefenamate Trihydrate Polymeric Structure

Symmetry ◽  
2021 ◽  
Vol 13 (10) ◽  
pp. 1761
Author(s):  
Marta S. Krawczyk ◽  
Irena Majerz
Keyword(s):  
Coordination Mode ◽  
Weak Interactions ◽  
Potassium Cation ◽  
X Ray Diffraction ◽  
Polymeric Structure ◽  
One Dimensional ◽  
Water Oxygen ◽  
Carboxylate Groups ◽  
The One ◽  
Oxygen Atoms

As a result of the synthesis of mefenamic acid with potassium hydroxide, a salt with a polymeric structure is formed. The one-dimensional polymeric structure was studied by single crystal X-ray diffraction. The potassium cation is coordinated to one oxygen atom of the carboxylate group and six water oxygen atoms. Potassium ions are bridged by oxygen atoms of water molecules. The crystal structure was used as an input to QTAIM and NCI approaches to investigate the K-O interactions linking the cation with the water oxygen and carboxylate groups. The weak K-O interactions of the potassium cation and water oxygen atoms were strong enough to form a polymeric structure. The flexibility of the weak interactions is responsible for a novel coordination mode in the potassium mefenamate trihydrate.

The Na—O bond in sodium fenamate

2019 ◽  
Vol 75 (5) ◽  
pp. 766-774 ◽  
Author(s):  
Marta S. Krawczyk ◽  
Irena Majerz
Keyword(s):  
Noncovalent Interaction ◽  
Sodium Cation ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Surrounding Water ◽  
Polymeric Structure ◽  
One Dimensional ◽  
X Ray ◽  
The One ◽  
Intramolecular Hydrogen

The one-dimensional polymeric structure of sodium diaquafenamate–water (1/1) was studied by X-ray diffraction. The sodium cation is coordinated to one oxygen atom of the carboxylate group and to four water oxygen atoms. To characterize the Na—O bonds, the quantum theory of atoms in molecules (QTAIM) and noncovalent interaction (NCI) approaches have been used. Both methods confirmed that the Na—O bonds are very weak, comparable with the weak N—H...O intramolecular hydrogen bond. The polymeric structure is stabilized by the interaction of the sodium cation with the surrounding water molecules.

Polysulfonylamine, CXXV [1]. Neue Komplexe von Disulfonylaminen mit Kronenethern - im voraus entworfen oder zufällig entdeckt / Polysulfonylamines, CXXV [1]. New Complexes of Disulfonylam ines with Crown Ethers - Preconceived or Discovered by Serendipity

2000 ◽  
Vol 55 (3-4) ◽  
pp. 299-316 ◽  
Author(s):  
Dagmar Henschel ◽  
Karna Wijaya ◽  
Oliver Moers ◽  
Armand Blaschette ◽  
Peter G. Jones
Keyword(s):  
Hydrogen Bonds ◽  
X Ray Diffraction ◽  
Ladder Structure ◽  
Triclinic Space Group ◽  
One Dimensional ◽  
X Ray ◽  
Bonding System ◽  
Supramolecular Aggregate ◽  
Guest Species ◽  
The One

Abstract In a study aim ed at the „deconstruction“ of the supramolecular aggregate 3(18C6) · 2HN( SO2Me)2 (1,18C6 = 18-crown-6), which is known to display a ladder structure with two isotactic [18C6 - Me SO2N(H)SO2Me···)∞ polymers forming the uprights and symmetrically N - H···O bonded 18C6 rings providing the rungs, the following crystalline complexes were isolated and (except for 2b) characterized by low-temperature X-ray diffraction: 18C6-ClN (SO2Me)2 (2a, triclinic, space group P1̅, Z = 2), 18C6-PhN (SO2Me)2 (2b), 18C6 -MeN(SO2Me)2 (3, monoclinic, P21/c, Z = 8), Bz18C6-HN(SO2Me)2 (4, Bz18C6 = benzo-18-crown-6, monoclinic, P21/n, Z = 4), 18C6-2 MeN (SO2Me)2 (5, triclinic, P1̅, Z = 1), 18C6-Me2SO- HN( SO2Me) (SO2Ph) (13, triclinic, P1̅, Z = 2), and 18C6-H2OMe2SO·2HN(SO2Me)2 (14, triclinic, P1̅, Z = 2). Each of the one-dimensional polymers 2a (syndiotactic), 3 (disyndiotactic) and 4 (isotactic) mimics a single upright of 1; in contrast to 1 and 2a, where the intra-catemer connectivity solely relies on S - Me ··· crow n and crown ··· O = S hydrogen bonds, this bonding system is reinforced in 3 by N -Me ··· crown and in 4 by N - H ··· crown hydrogen bonds. Complex 5 is monomeric and matches a fragment formally extruded from the catemer 3; moreover, 3 and 5 represent a rare case of two structurally characterized 18C6 complexes containing the same uncharged guest species in distinct molecular ratios. The surprising structure of the quaternary adduct 14 exhibits an [18C6 ··· MeSO2N(H)SO2Me ··· ]∞ chain, which can be regarded both as an isolated, though unmodified upright from the ladder 1 and, being syndiotactic, as a stereochemical analogue of 2a; the potentially rung-forming *NH functions in the chain are blocked by hydrogenbonded side chains of the type * N - H ··· water ··· sulfoxide ··· H - N (SO2Me)2. The ternary complex 13 consists of chains [18C6 ··· Me2SO ··· H - N (SO2Ph)SO2Me···]∞ and is not closely related to the other structures

Luminescent and magnetic bifunctional coordination complex based on a chiral tartaric acid derivative and europium

2019 ◽  
Vol 75 (9) ◽  
pp. 1220-1227 ◽  
Author(s):  
Mei-rong Han ◽  
Shao-dong Li ◽  
Ling Ma ◽  
Bang Yao ◽  
Si-Si Feng ◽  
...  
Keyword(s):  
Tartaric Acid ◽  
Complex I ◽  
Coupling Parameter ◽  
Chain Structure ◽  
Magnetic Behaviour ◽  
X Ray Diffraction ◽  
One Dimensional ◽  
X Ray ◽  
Carboxylate Groups ◽  
The Eu

A new mononuclear europium complex incorporating the (+)-di-p-toluoyl-D-tartaric acid (D-H2DTTA) ligand, namely, catena-poly[tris{μ2-3-carboxy-2,3-bis[(4-methylphenyl)carbonyloxy]propanoato}tris(methanol)europium(III)], [Eu(C20H17O8)3(CH3OH)3] n , (I), has been synthesized and characterized by IR spectroscopy, elemental analysis, powder X-ray diffraction and single-crystal X-ray diffraction analysis. The structure analysis indicates that complex (I) crystallizes in the trigonal space group R3 and exhibits an infinite one-dimensional chain structure, in which the Eu3+ ion is surrounded by six O atoms from six D-HDTTA− ligands and three O atoms from three coordinated methanol molecules, thus forming a tricapped trigonal prism geometry. The D-H2DTTA ligand is partially deprotonated and adopts a μ1,6-coordination mode via two carboxylate groups to link adjacent Eu3+ ions, affording an infinite one-dimensional propeller-shaped coordination polymer chain along the c axis, with an Eu...Eu distance of 7.622 (1) Å. Moreover, C—H...π interactions lead to the formation of helical chains running along the c axis and the whole structure displays a snowflake pattern in the ab plane. The circular dichroism spectrum confirms the chirality of complex (I). The solid-state photoluminescence properties were also investigated at room temperature and (I) exhibits characteristic red emission bands derived from the Eu3+ ion (CIE 0.63, 0.32), with a reasonably long lifetime of 0.394 ms, indicating effective energy transfer from the ligand to the metal centre. In addition, a magnetic investigation reveals single-ion magnetic behaviour. The spin-orbit coupling parameter (λ) between the ground and excited states is fitted to be 360 (2) cm−1 through Zeeman perturbation. Therefore, complex (I) may be regarded as a chiral optical-magneto bifunctional material.

One-dimensionality and neutral-to-ionic transition of some mixed-stack charge-transfer complexes

2002 ◽  
Vol 12 (9) ◽  
pp. 357-360
Author(s):  
M. Buron ◽  
E. Collet ◽  
M. H. Lemée-Cailleau ◽  
H. Cailleau ◽  
T. Luty ◽  
...  
Keyword(s):  
Phase Transition ◽  
Charge Transfer ◽  
Charge Transfer Complexes ◽  
X Ray Diffraction ◽  
One Dimensional ◽  
Giant Dielectric ◽  
Ionic Transition ◽  
The One ◽  
Ct Complexes ◽  
Dimerization Process

Mixed-stack charge-transfer (CT) complexes undergoing the neutral-ionic (N-I) phase transition are molecular materials formed of stacks where electron donor (D) and acceptor (A) molecules regularly alternate. In the N phase, the CT is low and molecules are situated on inversion centers, while in the I phase, the increase of CT is accompanied by a lattice distortion (dimerization process and symmetry breaking). The one-dimensional (1D) architecture triggers the chain multistability by stabilizing lattice-relaxed (LR)-CT excitations ...D° A° D° A° $(D^+A^-)(D^+A^-)(D^+A^-)$ Do A" D° A° D°... These 1D nano-scale objects are at the heart of the equilibrium N-I phase transition and govern the fascinating physical properties such as giant dielectric response or photo-induced phase transformations. In this contribution, the 1D character of these critical excitations will be demonstrated by direct observation using high resolution X-Ray diffraction.

Weak interactions in chain polymers [M(μ-X)2 L 2]∞ (M = Zn, Cd; X = Cl, Br; L = substituted pyridine) – an electron density study

2009 ◽  
Vol 65 (5) ◽  
pp. 600-611 ◽  
Author(s):  
Ruimin Wang ◽  
Christian W. Lehmann ◽  
Ulli Englert
Keyword(s):  
Hydrogen Bonds ◽  
Electron Density ◽  
Critical Points ◽  
Weak Interactions ◽  
Data Sets ◽  
X Ray Diffraction ◽  
Density Distributions ◽  
The One ◽  
Experimental Electron Density ◽  
Density Study

The experimental electron-density distributions in crystals of five chain polymers [M(μ-X)2(py)2] (M = Zn, Cd; X = Cl, Br; py = 3,5-substituted pyridine) have been obtained from high-resolution X-ray diffraction data sets (sin θ/λ > 1.1 Å−1) at 100 K. Topological analyses following Bader's `Atoms in Molecules' approach not only confirmed the existence of (3, −1) critical points for the chemically reasonable and presumably strong covalent and coordinative bonds, but also for four different secondary interactions which are expected to play a role in stabilizing the polymeric structures which are unusual for Zn as the metal center. These weaker contacts comprise intra- and inter-strand C—H...X—M hydrogen bonds on the one hand and C—X...X—C interhalogen contacts on the other hand. According to the experimental electron-density studies, the non-classical hydrogen bonds are associated with higher electron density in the (3, −1) critical points than the halogen bonds and hence are the dominant interactions both with respect to intra- and inter-chain contacts.

Deformation of sliding charge density wave in Rb0.3MoO3

2002 ◽  
Vol 12 (9) ◽  
pp. 323-324
Author(s):  
D. Le Bolloc'h ◽  
S. Ravy ◽  
P. Senzier ◽  
C. Pasquier ◽  
C. Detlefs
Keyword(s):  
Charge Density ◽  
Correlation Length ◽  
Charge Density Wave ◽  
Density Wave ◽  
Relaxation Times ◽  
X Ray Diffraction ◽  
Electrical Field ◽  
One Dimensional ◽  
High Q ◽  
The One

The correlation length of the charge density wave ordering in Rb0.3, MoO, has been studied by x-ray diffraction under electric field applied along the one-dimensional axis. The (10, 0.25, -5.5) satellite reflection has been measured in 3D, using high Q-resolution available at the ESRF. Under electrical field, the satellite reaches two stable positions depending on the temperature. It can switch from one to another as a function of the temperature and the current with very long relaxation times ($\rm 10^{th}$ of minutes). After several cycling with T and E, the satellite reflection is found to shift in the 3 main directions. The width of the satellite is reduced by a factor of two in the k-direction and an increase of the transverse correlation length is observed in the two others: the ordered domains look elongated, reaching until 5000 Å in the direction of the applied field and around 1OOO Å, in the perpendicular directions.

A one-dimensional coordination polymer with a three-dimensional supramolecular framework:catena-poly[[[(3,4,7,8-tetramethyl-1,10-phenanthroline)cadmium(II)]-μ3-4,4′-sulfonyldibenzoato] trihydrate]

2013 ◽  
Vol 69 (3) ◽  
pp. 241-243 ◽  
Author(s):  
Jun Wang ◽  
Jian-Qing Tao ◽  
Xiao-Juan Xu ◽  
Chun-Yun Tan
Keyword(s):  
Three Dimensional ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Polymeric Compound ◽  
Chain Polymer ◽  
One Dimensional ◽  
X Ray ◽  
Carboxylate Groups ◽  
Metal Organic ◽  
Coordination Patterns

In the title mixed-ligand metal–organic polymeric compound, {[Cd(C14H8O6S)(C16H16N2)]·3H2O}n, the asymmetric unit contains a crystallographically unique CdIIatom, one doubly deprotonated 4,4′-sulfonyldibenzoic acid (H2SDBA) ligand, one 3,4,7,8-tetramethyl-1,10-phenanthroline (TMPHEN) molecule and three solvent water molecules. Each CdIIcentre is six-coordinated by two O atoms from a chelating carboxylate group of a SDBA2−ligand, two O atoms from monodentate carboxylate groups of two different SDBA2−ligands and two N atoms from a chelating TMPHEN ligand. There are two coordination patterns for the carboxylate groups of the SDBA2−ligand, with one in a μ1-η1:η1chelating mode and the other in a μ2-η1:η1bis-monodentate mode. Single-crystal X-ray diffraction analysis revealed that the title compound is a one-dimensional double-chain polymer containing 28-membered rings based on the [Cd2(CO2)2] rhomboid subunit. More interestingly, a chair-shaped water hexamer cluster is observed in the compound.

Synthesis, Structures and Magnetic Properties of a Family of One-Dimensional Oxides

1996 ◽  
Vol 453 ◽  
Author(s):  
H.-C. Zur Loye ◽  
P. Núñez ◽  
M. A. Rzeznik
Keyword(s):  
Magnetic Properties ◽  
Magnetic Susceptibility ◽  
Rietveld Refinement ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
Magnetic Susceptibility Data ◽  
One Dimensional ◽  
X Ray ◽  
Susceptibility Data ◽  
The One

AbstractThe one-dimensional compounds Sr3MgPtO6, Sr3MgIrO6, Sr3MgRhO6, Sr3GdRhO6, have been synthesized and structurally characterized by Rietveld refinement of powder X-ray diffraction data. All four compounds are isostructural with the rhombohedral K4CdCl6-type structure. The structure consists of infinite one-dimensional chains of alternating face-shared MO6 octahedra (M = Pt, Ir, Rh) and M′O6 (M′ = Gd, Mg) trigonal prisms. The strontium cations are located in a distorted square antiprismatic environment. Magnetic susceptibility data show that both Sr3MgIrO6 and Sr3MgRhO6 obey the Curie-Weiss law with θ = −6(1) K, and θ= −15(3)K, respectively. Sr3GdRhO6 obeys the Curie law with μeff = 7.80 B.M, consistent with an oxidation state of +3 for both rhodium and gadolinium.

A one-dimensional coordination polymer based on Cd2O2clusters: poly[aqua(μ3-4,4′-sulfonyldibenzoato)(3,4,7,8-tetramethyl-1,10-phenanthroline-κ2N,N′)cadmium(II)]

2013 ◽  
Vol 69 (3) ◽  
pp. 244-246 ◽  
Author(s):  
Jian-Qing Tao
Keyword(s):  
Water Molecule ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Chain Polymer ◽  
One Dimensional ◽  
X Ray ◽  
Acid Ligand ◽  
Carboxylate Groups ◽  
Metal Organic ◽  
Coordinated Water

In the title mixed-ligand metal–organic polymeric complex [Cd(C14H8O6S)(C16H16N2)(H2O)]n, the asymmetric unit contains a crystallographically unique CdIIatom, one doubly deprotonated 4,4′-sulfonyldibenzoic acid ligand (H2SDBA), one 3,4,7,8-tetramethyl-1,10-phenanthroline (TMPHEN) molecule and one water molecule. Each CdIIcentre is coordinated by two N atoms from the chelating TMPHEN ligand, three O atoms from monodentate carboxylate groups of three different SDBA2−ligands and one O atom from a coordinated water molecule, giving a distorted CdN2O4octahedral geometry. Single-crystal X-ray diffraction analysis reveals that the compound is a one-dimensional double-chain polymer containing 28-membered rings based on Cd2O2clusters, with a Cd...Cd separation of 3.6889 (4) Å. These chains are linked by O—H...O and C—H...O hydrogen bonds to form a three-dimensional supramolecular framework. The framework is reinforced by π–π and C—O...π interactions.

A new two-dimensional manganese(II) coordination polymer based on thiophene-3,4-dicarboxylic acid

2014 ◽  
Vol 70 (7) ◽  
pp. 715-717
Author(s):  
Gui-Xia Wang ◽  
Li-Li Shang ◽  
Zhao-Hao Li ◽  
Bang-Tun Zhao
Keyword(s):  
Coordination Polymer ◽  
Dicarboxylic Acid ◽  
Ir Spectrum ◽  
Coordination Mode ◽  
The Novel ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
One Dimensional ◽  
Carboxylate Groups ◽  
Organic Linker

A novel manganese coordination polymer, poly[(μ5-thiophene-3,4-dicarboxylato)manganese(II)], [Mn(C6H2O4S)]n, was synthesized hydrothermally using 3,4-thiophenedicarboxylate (3,4-tdc2−) as the organic linker. The asymmetric unit of the complex contains an Mn2+cation and one half of a deprotonated 3,4-tdc2−anion, both residing on a twofold axis. Each Mn2+centre is six-coordinated by O atoms of bridging/chelating carboxylate groups from five 3,4-tdc2−anions, forming a slightly distorted octahedron. The Mn2+centres are bridged by 3,4-tdc2−anions to give an infinite two-dimensional layer which incorporates one-dimensional Mn–O gridlike chains, and in which the 3,4-tdc2−anion adopts a novel hexadentate chelating and μ5-bridging coordination mode. The fully deprotonated 3,4-tdc2−anion exhibits unexpected efficiency as a ligand towards the Mn2+centres, which it coordinates through all of its carboxylate O atoms to provide the novel coordination mode. The IR spectrum of the complex is also reported.

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