Aggregation patterns in the crystal structures of organometallic Group XV 1,1-dithiolates: the influence of the Lewis acidity of the central atom, metal- and ligand-bound steric bulk, and coordination potential of the 1,1-dithiolate ligands upon supramolecular architecture

CrystEngComm ◽  
2006 ◽  
Vol 8 (2) ◽  
pp. 104 ◽  
Author(s):  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structures ◽  
Central Atom ◽  
Lewis Acidity ◽  
Supramolecular Architecture ◽  
Group Xv ◽  
Organometallic Group

Synthese und Strukturuntersuchung von Polyhalogeniden im System Iod/Brom / Syntheses and Structure Analyses of Polyhalides in the System Iodine/Bromine

1985 ◽  
Vol 40 (1) ◽  
pp. 45-52 ◽  
Author(s):  
Axel Parlow ◽  
Hans Hartl
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Central Atom ◽  
X Ray ◽  
Bromide Anion

Several polyhalide anions containing iodine and bromine have been synthesized with 2,2′- bipyridylium (BPH+) as the cation. The crystal structures of three compounds have been investigated by X-ray crystal structure analyses. BPH+(H3O)+(IBr2)2- (P1̄, a = 780.0(3), b = 815.4(3), c = 1547.9(6) pm, α = 75.59(7), β = 82.28(8), γ = 88.15(8)°, R = 6.5%) contains two independent, nearly linear, asymmetric IBr2- groups. In BPH+I2Br3- (P21/c, a = 1269.1(6), b = 673.0(4), c = 2047.4(8) pm, β = 112.39(9)°, R = 6.3%), the anion is V-shaped like other pentahalide anions. It can be characterized as consisting of two IBr molecules linked to a bromide anion with the longer I-Br bonds at the central atom. The polyhalide anions in [xxx] (P21/m, a = 435.1(2), b = 1710.6(7), c = 1349.0(6) pm, β = 97.56(9)°, R = 15.5%) form infinite zigzag layers. They are built up by IBr2- anions which are connected by iodine molecules. The cations are enclosed in columnar cavities within these layers

scholarly journals Crystal Structures, Hirshfeld Surfaces, and Thermal Study of Isostructural Polymeric Ladders of La(III) and Sm(III) Coordination Compounds with 4,4’-Bipyridine and Dibromoacetates

Materials ◽  
2020 ◽  
Vol 13 (19) ◽  
pp. 4274
Author(s):  
Agnieszka Czylkowska ◽  
Anna Pietrzak ◽  
Małgorzata Szczesio ◽  
Bartłomiej Rogalewicz ◽  
Jakub Wojciechowski
Keyword(s):  
Crystal Structures ◽  
Coordination Compounds ◽  
Central Atom ◽  
Thermal Study ◽  
Hirshfeld Surface ◽  
Mixed Ligand ◽  
Enrichment Ratio ◽  
X Ray Diffraction ◽  
X Ray ◽  
Hirshfeld Surfaces

Two novel mixed ligand complexes with general formula [M2(4,4′-bpy)1.5(CBr2HCOO)6(H2O)2]n (where 4,4′-bpy = 4,4′-bipyridine) were synthesized. Thermal analysis was used to describe a solid intermediate and final products of thermolysis. A coupled TG-MS system was used to monitor principal volatile fragments evolved during pyrolysis. Crystal structures of the complexes were determined. Cationic dinuclear M2 (M(III) = La, Sm) coordination cores were obtained. Both crystal structures are isostructural. Single crystal X-ray diffraction analysis revealed that investigated structures of 1D coordination polymers assembled in ladder-like systems. The central atom replacement resulted in unit cell identity parameter П = 0.0091. Additionally, the isostructurality of the reported La(III) and Sm(III) complexes was revealed using Hirshfeld Surface analysis supported by Enrichment Ratio calculations.

scholarly journals Hydrogen-bonding network in the organic salts of 4-nitrobenzoic acid

2006 ◽  
Vol 4 (3) ◽  
pp. 458-475 ◽  
Author(s):  
Yurii Chumakov ◽  
Yurii Simonov ◽  
Mata Grozav ◽  
Manuela Crisan ◽  
Gabriele Bocelli ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Crystal Packing ◽  
Building Blocks ◽  
Supramolecular Architecture ◽  
Two Dimensional ◽  
Organic Salts ◽  
Nitrobenzoic Acid ◽  
Ionic Forms

AbstractThe crystal structures of six novel salts of 4-nitrobenzoic acid — namely, 2-hydroxyethylammonium 4-nitrobenzoate (I), 2-hydroxypropylammonium 4-nitrobenzoate (II), 1-(hydroxymethyl)propylammonium 4-nitrobenzoate (III), 3-hydroxypropylammonium 4-nitrobenzoate (IV), bis-(2-hydroxyethylammonium) 4-nitrobenzoate (V), morpholinium 4-nitrobenzoate (VI) — containing the same anion but different cations have been studied. The ionic forms of I-VI serve as building blocks of the supramolecular architecture, and in crystals they are held together via ionic N-H···O and O-H···O hydrogen bonds. In the crystal packing the building blocks of I-III are self-assembled via N-H...O, O-H···O and C-H...O hydrogen bonds to form the chains which are further consolidated into two-dimensional layers by the same type of interactions. In IV-VI the chain-like structures have been generated by building blocks.

scholarly journals Crystal structures of threeN-aryl-2,2,2-tribromoacetamides

2015 ◽  
Vol 71 (9) ◽  
pp. 1048-1053 ◽  
Author(s):  
S. Sreenivasa ◽  
S. Naveen ◽  
N. K. Lokanath ◽  
G. M. Supriya ◽  
H. N. Lakshmikantha ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
One Dimension ◽  
Supramolecular Architecture ◽  
Two Dimensional ◽  
One Dimensional

ThreeN-aryl-2,2,2-tribromoacetamides, namely, 2,2,2-tribromo-N-(2-fluorophenyl)acetamide, C8H5Br3FNO, (I), 2,2,2-tribromo-N-[3-(trifluoromethyl)phenyl]acetamide, C9H5Br3F3NO, (II) and 2,2,2-tribromo-N-(4-fluorophenyl)acetamide, C8H5Br3FNO, (III) were synthesized and their crystal structures were analysed. In the crystal structure of (I), C—Br...πarylinteractions connect the molecules into dimers, which in turn are connectedviaBr...Br contacts [3.6519 (12) Å], leading to the formation of a one-dimensional ladder-type architecture. The crystal structure of (II) features chains linked by N—H...O and C—H...O hydrogen bonds. Two such chains are interlinked to form ribbons through Br...Br [3.6589 (1) Å] and Br...F [3.0290 (1) Å] interactions. C—Br...πaryland C—F...πarylinteractions between the ribbons extend the supramolecular architecture of (II) from one dimension to two. In (III), the molecules are connected intoR22(8) dimersviapairs of C—H...F interactions and these dimers form ribbons through Br...Br [3.5253 (1) Å] contacts. The ribbons are further interlinked into columnsviaC—Br...O=C contacts, forming a two-dimensional architecture.

Lewis acidity of Ph2SbX3, where X = Cl or Br. Crystal structures of Ph2SbCl3·H2O and Ph2SbBr3·MeCN

1989 ◽  
Vol 362 (1-2) ◽  
pp. 77-85 ◽  
Author(s):  
T. Tunde Bamgboye ◽  
Michael J. Begley ◽  
D. Bryan Sowerby
Keyword(s):  
Crystal Structures ◽  
Lewis Acidity

Solid-state supramolecular architecture of carbenoxolone – comparative studies with glycyrrhetinic and glycyrrhizic acids

2015 ◽  
Vol 71 (1) ◽  
pp. 25-33 ◽  
Author(s):  
Ewa Tykarska ◽  
Maria Gdaniec
Keyword(s):  
Crystal Structures ◽  
Free Acid ◽  
Glycyrrhetinic Acid ◽  
Van Der Waals Interactions ◽  
Supramolecular Architecture ◽  
Crystal Forms ◽  
X Ray Crystallography ◽  
Carboxylate Groups ◽  
Solvent Molecules ◽  
The Impact

Carbenoxolone (CBXH2), a pharmaceutically relevant derivative of glycyrrhetinic acid, was studied by X-ray crystallography. The crystal structures of its unsolvated form, propionic acid and dimethoxyethane solvates and a solvated cocrystal of the free acid with its monobasic sodium salt CBXH2·CBXHNa·(butan-2-one)2·2H2O reveal that the recurring motif of supramolecular architecture in all crystal forms is a one-dimensional ribbon with closely packed triterpene fragments. It does not result from strong specific interactions but solely from van der Waals interactions. The ribbons are further arranged into diverse layer-type aggregates with a hydrophobic interior (triterpene skeletons) and hydrophilic surfaces covered with carboxylic/carboxylate groups. Solvent molecules included at the interface between the layers influence hydrogen-bonding interactions between the carbenoxolone molecules and organization of the ribbons within the layer. Comparison of crystal structures of carbenoxolone, glycyrrhizic acid and its aglycone–glycyrrhetinic acid have shown the impact of the size and hydrophilic character of the substituent at the triterpene C3 atom on the supramolecular architecture of these three closely related molecules.

scholarly journals Crystal structures of (1E,4E)-1,5-bis(5-bromothiophen-2-yl)-2,4-dimethylpenta-1,4-dien-3-one and (E)-4-(5-bromothiophen-2-yl)-1,3-diphenylbut-3-en-2-one

2016 ◽  
Vol 72 (2) ◽  
pp. 199-202
Author(s):  
C. Nithya ◽  
M. Sithambaresan ◽  
M. R. Prathapachandra Kurup
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Methyl Groups ◽  
Supramolecular Architecture ◽  
Π Interactions ◽  
Phenyl Rings ◽  
Staircase Structure ◽  
Carbonyl Bond

The title compounds, C15H12Br2OS2, (I), and C20H15BrOS, (II), were synthesized by employing Claisen–Schmidt condensation of pentan-3-one and dibenzylacetone with 5-bromothiophene-2-carbaldehyde in the presence of methanolic KOH. Even though 1:2 products were expected in both of the reactions, 1:2 and 1:1 products were obtained as (I) and (II), respectively. In (I), the two methyl groups aretransto each other, 29.5 (7) and 28.7 (7)° away from the central carbonyl bond between them, whereas the two phenyl rings of dibenzylacetone subtend a dihedral angle of 53.09 (18)°. In the crystal of (I), C—H...O hydrogen bonds define molecular chains alongc. A second type of molecular chain is formed alongbby means of C—Br...π interactions. These two families of molecular chains are stacked by π–π interactions, forming a three-dimensional supramolecular architecture. In (II), similar C—H...O hydrogen bonds as in (I) define inversion dimers, whilst C—H....π interactions build a staircase structure along theaaxis.

scholarly journals Crystal structures of 4-methoxy-N-(4-methylphenyl)benzenesulfonamide andN-(4-fluorophenyl)-4-methoxybenzenesulfonamide

2015 ◽  
Vol 71 (11) ◽  
pp. 1388-1391
Author(s):  
Vinola Z. Rodrigues ◽  
C. P. Preema ◽  
S. Naveen ◽  
N. K. Lokanath ◽  
P. A. Suchetan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Dihedral Angle ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Supramolecular Architecture ◽  
One Dimensional ◽  
Ring Form ◽  
Benzene Rings

Crystal structures of twoN-(aryl)arylsulfonamides, namely, 4-methoxy-N-(4-methylphenyl)benzenesulfonamide, C14H15NO3S, (I), andN-(4-fluorophenyl)-4-methoxybenzenesulfonamide, C13H12FNO3S, (II), were determined and analyzed. In (I), the benzenesulfonamide ring is disordered over two orientations, in a 0.516 (7):0.484 (7) ratio, which are inclined to each other at 28.0 (1)°. In (I), the major component of the sulfonyl benzene ring and the aniline ring form a dihedral angle of 63.36 (19)°, while in (II), the planes of the two benzene rings form a dihedral angle of 44.26 (13)°. In the crystal structure of (I), N—H...O hydrogen bonds form infiniteC(4) chains extended in [010], and intermolecular C—H...πarylinteractions link these chains into layers parallel to theabplane. The crystal structure of (II) features N—H...O hydrogen bonds forming infinite one dimensionalC(4) chains along [001]. Further, a pair of C—H...O intermolecular interactions consolidate the crystal packing of (II) into a three-dimensional supramolecular architecture.

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