scholarly journals Isonicotinamide-Based Compounds: From Cocrystal to Polymer

Molecules ◽  
2019 ◽  
Vol 24 (22) ◽  
pp. 4169
Author(s):  
Francisco Sánchez-Férez ◽  
Daniel Ejarque ◽  
Teresa Calvet ◽  
Mercè Font-Bardia ◽  
Josefina Pons
Keyword(s):  
Crystal Structure ◽  
Coordination Polymer ◽  
Coordination Mode ◽  
Lattice Energy ◽  
Hirshfeld Surface ◽  
Molar Ratio ◽  
Reaction Conditions ◽  
X Ray ◽  
The One ◽  
2D And 3D

The reaction between [Cu(μ-OAc)(μ-Pip)(MeOH)]2 (1) (OAc = acetate; Pip = 1,3-benzodioxole-5-carboxylate) and isonicotinamide (Isn) in MeOH as solvent yielded two mixture pairs of three compounds: {(HPip)2(Isn) (2), [Cu(Pip)2(Isn)2] (3)} and {(3), {[Cu3(Pip)2(OAc)2(μ-Isn)2(Isn)2(μ-OCH3)2(MeOH)2]·2MeOH}n (4)}. Modifying the reaction conditions (t, T, molar ratio), 2 and 3 have been successfully isolated, whereas 3 and 4 had to be mechanically separated. The recrystallization of 3 in pentanol yielded single crystals of compound [Cu(Pip)2(Isn)2]·C5H11OH (3a). The X-ray crystal structure of 2, 3a, and 4 has been elucidated showing a cocrystal, a monomer, and an unusual coordination polymer, respectively. The Pip ligand exhibited a chelate (3a) or a monodentate (4) coordination mode, but the Isonicotinamide (Isn) ligand is the one that promoted the arrangement of different structures and also mainly directs the formation of the 2D and 3D supramolecular assemblies. All the structures have been analyzed by Hirshfeld surface. In addition, the energy frameworks and lattice energy values of 2 and 3a have been calculated.

Verknüpfung von (TeO6)6- und (TeO6)3(NiO6)3-Sechsringen durch TeNiO9-Oktaederdoppel in Pb3Ni4,5Te2,5O15 / Connection of (TeO6)6 and (TeO6)3(NiO6)3 Hexagons by TeNiO9 Octahedra Double in Pb3Ni4,5Te2,5O15

1998 ◽  
Vol 53 (5-6) ◽  
pp. 527-531 ◽  
Author(s):  
B. Wedel ◽  
K. Sugiyama ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
Lone Pair ◽  
Lattice Energy ◽  
Hexagonal Symmetry ◽  
X Ray ◽  
Lattice Constants ◽  
The One ◽  
Group D ◽  
Symmetry Space ◽  
Symmetry Space Group

Abstract Single crystals of Pb3Ni4.5Te2.5O15 have been prepared by heating pellets of mixtures of PbO, TeO2 and nickel hydroxide carbonate to 730 °C in air. X-ray investigations led to hexagonal symmetry, space group d66-P6322, lattice constants a = 10.2589(1), c = 13.554(5), Z = 4. Typical features of the crystal structure are face sharing TeNiO9 octahedra doubles and planes of connected (TeO6)6 and (TeO6)3(NiO6)3 hexagons. The one-sided coordination of lead by oxygen is complemented by the lone pair of electrons. The lone pair positions are estimated by calculations of the Coulomb terms of lattice energy.

scholarly journals New Zinc Coordination Compound with Simple Salicylato and Pyridine Ligands: Synthesis, Crystal Structure and Hirshfeld Surface Analysis

2021 ◽  
Vol 68 (2) ◽  
pp. 475-482
Author(s):  
Nives Kitanovski ◽  
Marta Počkaj
Keyword(s):  
Crystal Structure ◽  
Surface Analysis ◽  
Coordination Compound ◽  
Diffraction Method ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Group Symmetry ◽  
Molar Ratio ◽  
X Ray ◽  
Zinc Coordination

A novel mononuclear zinc coordination compound with formula [Zn(Hsal)2(Py)2] (H2sal = salicylic acid, Py = pyridine) was prepared by mixing aqueous solutions of sodium salicylate and zinc sulfate in 1:1 molar ratio, and to the resulting solution pyridine was added dropwise. The obtained compound was characterized by elemental analysis, IR spectroscopy, and its crystal structure was determined by single-crystal X-ray diffraction method. X-ray structure analysis has shown that the central zinc ion is four-coordinated by two monodentate salicylato ligands and two pyridine molecules, forming a distorted tetrahedron. Since the asymmetric unit consists of two halves of coordination molecules, orthorhombic Ibca space group symmetry leads to two coordination molecules with slightly different geometry. The comparison between the two is given in terms of interatomic distances and angles, and also in terms of differences in intermolecular interactions obtained as a result of Hirshfeld surface analysis. With the assistance of C−H…O interactions, the adjacent molecules are linked into chains and further connected into three-dimensional network.

Planare CuO4-Polygone und eine einseitig offene Te4+O3-Koordination in SrCuTe2O6 / Planar CuO4 Polygons and a One-Sided Open Te4+O3 Coordination in SrCuTe2O6

1997 ◽  
Vol 52 (11) ◽  
pp. 1341-1344 ◽  
Author(s):  
L. Wulff ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
Lone Pair ◽  
Lattice Energy ◽  
Cubic Symmetry ◽  
X Ray ◽  
Oxygen Coordination ◽  
Square Planar ◽  
The One ◽  
Symmetry Space ◽  
Symmetry Space Group

AbstractThe new compound SrCuTe2O6 has been prepared by quenching single crystals grown from a flux of SrCO3, TeO2 and CuCO3·Cu(OH)2. X-ray investigations show cubic symmetry, space group O7-P41 32, lattice constant a = 12.473(1), Z = 12. The crystal structure is characterized by square planar CuO4 polygons and a one-sided open triangular oxygen coordination of Te4+, both incorporated in a Sr/O network. The one sided oxygen coordination of tellurium is completed by the lone pair of Te4+. Calculations of the Coulomb parts of lattice energy led to the position of the lone pair centre.

A new ladder-type silver(I) coordination polymer with 4,4′-bipyridine and 4-[(4-carboxybenzyloxy)methyl]benzoate ligands: synthesis, crystal structure, fluorescence properties and Hirshfeld surface analysis

2020 ◽  
Vol 76 (10) ◽  
pp. 952-957
Author(s):  
Zhao Chen ◽  
Zilong Zhang ◽  
Chong Zhang ◽  
Yu Xiao
Keyword(s):  
Crystal Structure ◽  
Coordination Polymer ◽  
Surface Analysis ◽  
Silver Ions ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Fluorescence Properties ◽  
X Ray Diffraction ◽  
X Ray ◽  
Hydrothermal Methods

A novel ladder-type coordination polymer (CP), poly[(μ-4,4′-bipyridine-κ2 N:N′){μ-4-[(4-carboxybenzyloxy)methyl]benzoato-κO}silver(I)](Ag—Ag), [Ag(C16H13O5)(C10H8N2)] n or [Ag(HL)(4,4′-bpy)] n {H2 L is 4,4′-[oxybis(methylene)]dibenzoic acid and 4,4′-bpy is 4,4′-bipyridine}, was synthesized using hydrothermal methods. The complex was characterized by IR spectroscopy, elemental analysis and single-crystal X-ray diffraction, and is a ladder-type CP which exhibits an obvious Ag—Ag interaction. The legs of the ladder are formed by parallel 4,4′-bipy ligands and silver ions, and the rungs are constructed by Ag—Ag interactions. A Hirshfeld surface analysis was carried out and is discussed in detail. The complex also displays favourable fluorescence properties.

A 2-D Zn(II) coordination polymer based on 4,5-imidazoledicarboxylate and bis(benzimidazole) ligands: synthesis, crystal structure and fluorescence properties

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Xinzhao Xia ◽  
Lixian Xia ◽  
Geng Zhang ◽  
Yuxuan Jiang ◽  
Fugang Sun ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Coordination Polymer ◽  
Zigzag Chain ◽  
Supramolecular Framework ◽  
X Ray Diffraction ◽  
Hydrothermal Conditions ◽  
Hydrogen Bond Interaction ◽  
X Ray ◽  
New Type ◽  
Solid State Fluorescence

Abstract In this work, a new type of zinc(II) coordination polymer {[Zn(HIDC)(BBM)0.5]·H2O} n (Zn-CP) was synthesized using 4,5-imidazoledicarboxylic acid (H3IDC) and 2,2-(1,4-butanediyl)bis-1,3-benzimidazole (BBM) under hydrothermal conditions. Its structure has been characterized by infrared spectroscopy, elemental analysis and single crystal X-ray diffraction analysis. The Zn(II) ion is linked by the HIDC2− ligand to form a zigzag chain by chelating and bridging, and then linked by BBM to form a layered network structure. Adjacent layers are further connected by hydrogen bond interaction to form a 3-D supramolecular framework. The solid-state fluorescence performance of Zn-CP shows that compared with free H3IDC ligand, its fluorescence intensity is significantly enhanced.

Synthesis and Crystal Structure of the Flexible Ligand Coordination Polymer [Co3(bpd)5.5(NCS)6(NH3)]n⋅2H2O(bpd= 1,4-bis (4-pyridyl)-2,3-diaza-1,3-butadiene)

2013 ◽  
Vol 803 ◽  
pp. 80-84
Author(s):  
Yu Qi Liu ◽  
Yong Yang ◽  
Rui Yang ◽  
Xiao Jun Xu
Keyword(s):  
Crystal Structure ◽  
Infrared Spectroscopy ◽  
Coordination Polymer ◽  
Single Crystal ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Elemental Analyses ◽  
Ligand Coordination ◽  
Point Symbol

A novel metalorganic coordination polymer, namely [Co3(bpd)5.5(NCS)6(NH3)]n2H2O (1) (bpd=1,4-bis (4-pyridyl)-2,3-diaza-1,3-butadiene), has been synthesized and characterized by elemental analyses, infrared spectroscopy, and single-crystal X-ray diffraction. Compound 1 presents 2D[3,4,-connected 3-nodal net with the point symbol (4268210)(4462)(8210). In addition, four identical 2D single nets is interlocked with each other in parallel, thus directly leading to the formation of a polycatenated layer (2D2D).

Synthesis, IR spectrum, thermal behaviour and crystal structure of a novel one-dimensional cyano-bridged zinc(II)/nickel(II) complex

2005 ◽  
Vol 220 (1) ◽  
Author(s):  
Ahmet Karadag ◽  
Hümeyra Pasaoglu ◽  
Gökhan Kastas ◽  
Orhan Büyükgüngör
Keyword(s):  
Crystal Structure ◽  
Thermal Analysis ◽  
Coordination Polymer ◽  
Single Crystal ◽  
Ir Spectrum ◽  
Polymeric Chain ◽  
X Ray Diffraction ◽  
Bimetallic Complex ◽  
One Dimensional ◽  
X Ray

AbstractThe cyano-bridged heteronuclear coordination polymer of zinc(II)/nickel(II) has been prepared by N-(2-hydroxyethyl)-ethylendiamine (hydet-en), alternatively named 2-(2-aminoethylamino)-ethanol and characterised by IR and thermal analysis. In the bimetallic complex, the decomposition of hydet-en ligands is seen to be endothermic whereas that of the cyano ligands is found to be exothermic. The crystal structure of the complex has been determined by single-crystal X-ray diffraction. The crystal structure of the zinc(II)-nickel(II) complex consists of a one-dimensional polymeric chain –Zn(hydet-en)

A 35-year-old mystery solved: a facile synthetic route and structural confirmation of tetrachlorobis(diethyl ether)tungsten(IV)

2021 ◽  
Vol 77 (4) ◽  
Author(s):  
Thomas E. Shaw ◽  
Alfred P. Sattelberger ◽  
Titel Jurca
Keyword(s):  
Crystal Structure ◽  
Diethyl Ether ◽  
Thermal Instability ◽  
Room Temperature ◽  
Surface Characteristics ◽  
Hirshfeld Surface ◽  
Asymmetric Unit ◽  
Synthetic Route ◽  
X Ray ◽  
Elemental Analyses

The true identity of the diethyl ether adduct of tungsten(IV) chloride, WCl4(Et2O) x , has been in doubt since 1985. Initially postulated as the bis-adduct, WCl4(Et2O)2, questions arose when elemental analyses were more in line with a mono-ether adduct, viz. WCl4(Et2O). It was proposed that this was due to the thermal instability of the bis-adduct. Here, we report the room-temperature X-ray crystal structure and Hirshfeld surface characteristics of trans-tetrachloridobis(diethyl ether)tungsten(IV), trans-WCl4(Et2O)2 or trans-[WCl4(C4H10O)2]. The compound crystallizes, with half of the molecule in the asymmetric unit, in the centrosymmetric space group P21/n. The W—O distance is 2.070 (2) Å, while the W—Cl distances are 2.3586 (10) and 2.3554 (10) Å.

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