Assembly of Layer-Type Organosilver(I) Complexes Incorporating Nitrate and Isomeric Halophenylethynide Ligands

2014 ◽  
Vol 67 (12) ◽  
pp. 1849 ◽  
Author(s):  
Ping-Shing Cheng ◽  
Sam C. K. Hau ◽  
Thomas C. W. Mak
Keyword(s):  
Single Crystal ◽  
Intermolecular Interactions ◽  
Coordination Networks ◽  
Ethynyl Group ◽  
X Ray ◽  
Nitrate Complexes

Single-crystal X-ray analysis of a series of 10 silver(i) nitrate complexes containing carbon-rich ligands each composed of a halosubstituted phenyl nucleus bearing a terminal ethynyl group at various positions provided detailed information on the influence of ligand disposition and orientation, coordination preferences, and the co-existence of silver(i)–ethynide and silver(i)–halogen interactions in the construction of coordination networks, which are consolidated by argentophilic and weak intra or intermolecular interactions.

Substituent and Solvent Effects on Intermolecular Interactions in Crystals of N-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies

2014 ◽  
Vol 14 (5) ◽  
pp. 2263-2281 ◽  
Author(s):  
Liliana Mazur ◽  
Katarzyna N. Jarzembska ◽  
Radosław Kamiński ◽  
Krzysztof Woźniak ◽  
Edyta Pindelska ◽  
...  
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Intermolecular Interactions ◽  
Solvent Effects ◽  
Solid State Nmr ◽  
Computational Studies ◽  
X Ray

Quantitative Analysis of Intermolecular Interactions in 3‐Cyano‐2‐Pyridones: Evaluation through Single Crystal X‐ray Diffraction and Density Functional Theory

2018 ◽  
Vol 3 (21) ◽  
pp. 5864-5873
Author(s):  
Sunil K. Rai ◽  
Tomasz Sierański ◽  
Shaziya Khanam ◽  
Krishnan Ravi Kumar ◽  
Balasubramanian Sridhar ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Quantitative Analysis ◽  
Single Crystal ◽  
Intermolecular Interactions ◽  
Density Functional ◽  
X Ray Diffraction ◽  
Functional Theory ◽  
X Ray

Synthesis, growth, structure and characterization of molybdenum zinc thiourea complex crystals

2015 ◽  
Vol 71 (3) ◽  
pp. 285-292 ◽  
Author(s):  
M. Rajasekar ◽  
K. Muthu ◽  
A. Aditya Prasad ◽  
R. Agilandeshwari ◽  
SP Meenakshisundaram
Keyword(s):  
Single Crystal ◽  
Diffraction Analysis ◽  
Intermolecular Interactions ◽  
Crystal Packing ◽  
Second Harmonic ◽  
Morphological Changes ◽  
Strong Interactions ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cell Parameters

Single crystals of molybdenum-incorporated tris(thiourea)zinc(II) sulfate (MoZTS) are grown by the slow evaporation solution growth technique. Crystal composition as determined by single-crystal X-ray diffraction analysis reveals that it belongs to the orthorhombic system with space groupPca21and cell parametersa= 11.153 (2),b= 7.7691 (14),c= 15.408 (3) Å,V= 1335.14 (4) Å3andZ= 4. The surface morphological changes are studied by scanning electron microscopy. The vibrational patterns in FT–IR are used to identify the functional group and TGA/DTA (thermogravimetric analysis/differential thermal analysis) indicates the stability of the material. The structure and the crystallinity of the material were confirmed by powder X-ray diffraction analysis and the simulated X-ray diffraction (XRD) closely matches the experimental one with varied intensity patterns. The band gap energy is estimated using diffuse reflectance data by the application of the Kubelka–Munk algorithm. The relative second harmonic generation (SHG) efficiency measurements reveal that MoZTS has an efficiency comparable to that of tris(thiourea)zinc(II) sulfate (ZTS). Hirshfeld surfaces were derived using single-crystal X-ray diffraction data. Investigation of the intermolecular interactions and crystal packingviaHirshfeld surface analysis reveal that the close contacts are associated with strong interactions. Intermolecular interactions as revealed by the fingerprint plot and close packing could be the possible reasons for facile charge transfer leading to SHG activity.

Single crystal x-ray diffuse scattering studies of the intermolecular interactions in solid C60

1997 ◽  
Vol 86 (1-3) ◽  
pp. 2327-2328 ◽  
Author(s):  
R. Moret ◽  
P. Launois ◽  
S. Ravy ◽  
M. Julier ◽  
J.M. Godard
Keyword(s):  
Single Crystal ◽  
Intermolecular Interactions ◽  
Diffuse Scattering ◽  
X Ray

scholarly journals A 1:1 energetic co-crystal formed between trinitrotoluene and 2,3-diaminotoluene

2018 ◽  
Vol 37 (1) ◽  
pp. 61 ◽  
Author(s):  
Nilgun Sen
Keyword(s):  
Single Crystal ◽  
Intermolecular Interactions ◽  
Crystal Packing ◽  
Main Mechanism ◽  
Oxygen Balance ◽  
X Ray Diffraction ◽  
X Ray ◽  
Fingerprint Plots ◽  
Hirshfeld Surfaces ◽  
Π Stacking

A 1:1 co-crystal of trinitrotoluene (TNT) and 2,3-diaminotoluene was prepared by solvent evapo- ration, and the structure of the co-crystal was determined by single-crystal and powder X-ray diffraction. The results indicate that the main mechanism of co-crystallization originates from the intermolecular hy- drogen bonding (amino-nitro) and π-π stacking. We also examined the Hirshfeld surfaces and associated fingerprint plots of the co-crystal and reveal that the structures are stabilized by H…H, O–H, O…O and C…C (π-π) intermolecular interactions. We analyzed the crystal packing and show its influence upon im- pact sensitivity. The results highlight that co-crystallization is an effective way to modify the sensitivity, oxygen balance and density of explosives. 

scholarly journals Coordination behavior of PPh2{C6H4[CH2N(CH2CH2)2O]-2}: Case study CdCl2[PPh2{C6H4[CH2N(CH2CH2)2O]-2}]

2021 ◽  
Vol 44 (1) ◽  
pp. 261-266
Author(s):  
Ancuța Covaci ◽  
Cristian Silvestru ◽  
Anca Silvestru
Keyword(s):  
Nmr Spectroscopy ◽  
Single Crystal ◽  
Intermolecular Interactions ◽  
Molar Ratio ◽  
Cadmium Complex ◽  
X Ray Diffraction ◽  
X Ray ◽  
Coordination Behavior ◽  
Supramolecular Networks

Abstract The reaction between CdCl2 and PPh2{C6H4 [CH2N(CH2CH2)2O]-2} (1) in a 1:1 molar ratio resulted in the cadmium(II) complex CdCl2[PPh2{C6H4[CH2N(CH2CH2)2O]-2}] (2). The complex 2 was characterized in solution by NMR spectroscopy (1H, 13C, and 31P). Single-crystal X-ray diffraction studies revealed no intramolecular N→P interaction in 1. The phosphane ligand behaves as a P,N chelating moiety in the cadmium complex 2, thus resulting in a species containing distorted tetrahedral environments around cadmium and phosphorus. Short intermolecular interactions CH‧‧‧π aryl and CH‧‧‧O in 1 and CH‧‧‧π aryl and CH‧‧‧Cl in 2 resulted in supramolecular networks.

Single-Crystal X-ray Diffraction Studies of Solvated Crystals of C60 Reveal the Intermolecular Interactions between the Component Molecules

2018 ◽  
Vol 122 (50) ◽  
pp. 9626-9636 ◽  
Author(s):  
Christopher J. Chancellor ◽  
Faye L. Bowles ◽  
Jimmy U. Franco ◽  
David M. Pham ◽  
Melissa Rivera ◽  
...  
Keyword(s):  
Single Crystal ◽  
Intermolecular Interactions ◽  
X Ray Diffraction ◽  
X Ray

Nitrato and Acetylacetonato Complexes of Copper(I)

1971 ◽  
Vol 49 (5) ◽  
pp. 761-766 ◽  
Author(s):  
W. A. Anderson ◽  
A. J. Carty ◽  
G. J. Palenik ◽  
G. Schreiber
Keyword(s):  
Single Crystal ◽  
Infrared Spectra ◽  
Heavy Atom ◽  
Monoclinic Space Group ◽  
Synthetic Route ◽  
Tertiary Phosphine ◽  
X Ray ◽  
Tertiary Phosphines ◽  
Heavy Atom Method ◽  
Nitrate Complexes

Copper(I) nitrate complexes of the types L2CuNO3, L3CuNO3, and L4CuNO3 (L = tertiary phosphine) have been synthesized by reduction of copper(II) nitrate with tertiary phosphines. Infrared spectra and single crystal X-ray measurements indicate the presence of bidentate nitrate in L2CuNO3, monodentate nitrate in L3CuNO3, and ionic nitrate in L4CuNO3.The single crystal X-ray structure of nitratobis (tricyclohexylphosphine)copper(I) is reported. CuO3N(PC18H33)2 crystallizes in the monoclinic space group C2/c with a = 18.18(1) Å, b = 9.240(6) Å, c = 22.41(2) Å, and β = 96.57(5)°. The structure was solved by the heavy atom method and refined with isotropic thermal parameters to an R of 0.14. The copper atom is tetrahedrally coordinated by two phosphorus atoms and two oxygen atoms of a bidentate nitrate group. The P—Cu—P angle (140(1)°) and Cu—P bond lengths (2.29(1) Å) are the largest reported for tetrahedral copper complexes.A facile synthetic route to acetylacetonatobis(phosphine)copper(I) complexes is also described.

Coordination Networks with Carborane Anions: Ag(I) and Nitrogen Bridging Ligands

2006 ◽  
Vol 59 (1) ◽  
pp. 40 ◽  
Author(s):  
Luís Cunha-Silva ◽  
Ruksanna Ahmad ◽  
Michaele J. Hardie
Keyword(s):  
Infrared Spectroscopy ◽  
Coordination Polymer ◽  
Single Crystal ◽  
Network Structure ◽  
X Ray Diffraction ◽  
Coordination Networks ◽  
Bridging Ligands ◽  
X Ray ◽  
1D Coordination Polymer ◽  
Carborane Anions

New crystalline coordination networks based on Ag(i) and N-bridging ligands — pyrazine (pyz), 4,4′-bipyridine (bpy), and 2,3-bis-(2-pyridyl)pyrazine (bppz) — incorporating carborane monoanions (CB11H12)− or [Co(C2B9H11)2]− were isolated and characterized using single crystal X-ray diffraction, microanalysis, and infrared spectroscopy. All the complexes with the bpy and bppz ligands reveal 1D coordination infinite chains involving the Ag(i) and the ligands, and layered extended structures with rows of carborane anions between the layers of chains. Interestingly, two polymorphs of the complex [Ag(bpy)(CH3CN)][Co(C2B9H11)2] were observed. The complex [Ag(pyz)(CH3CN)2][Co(C2B9H11)2] shows a 1D coordination polymer, while the pyz complex with the smaller carborane anion {[Ag(pyz)](CB11H12)} exhibits a 3D coordination network structure with four Ag···H−B interactions between the silver centre and carborane anions.

scholarly journals New Cocrystals of Antipsychotic Drug Aripiprazole: Decreasing the Dissolution through Cocrystallization

Molecules ◽  
2021 ◽  
Vol 26 (9) ◽  
pp. 2414
Author(s):  
Wenwen Liu ◽  
Ru Ma ◽  
Feifei Liang ◽  
Chenxin Duan ◽  
Guisen Zhang ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Single Crystal ◽  
Dissolution Rate ◽  
Intermolecular Interactions ◽  
Antipsychotic Drug ◽  
Phosphate Buffer ◽  
Halogen Bond ◽  
X Ray Diffraction ◽  
Dissolution Experiment ◽  
X Ray

Cocrystallization is an important route to tuning the solubility in drugs development, including improving and reducing. Five cocrystals of aripiprazole (ARI) with resveratrol (RSV) and kaempferol (KAE), ARI-RSV, ARI2-RSV1·MeOH, ARI-KAE, ARI-KAE·EtOH, ARI-KAE·IPA, were synthesized and characterized. The single crystal of ARI2-RSV1·MeOH, ARI-KAE·EtOH, and ARI-KAE·IPA were analyzed by single crystal X-ray diffraction (SCXRD). The SCXRD showed multiple intermolecular interactions between API and the coformers, including hydrogen bond, halogen bond, and π-π interactions. Dissolution rate of the two nonsolvate ARI-RSV and ARI-KAE cocrystals were investigated through powder dissolution experiment in pH = 4.0 acetate buffer and pH = 6.8 phosphate buffer. The result showed that RSV could reduce the dissolution rate and solubility of ARI in both medium through cocrystallization. However, KAE improved the dissolution rate and solubility of ARI in pH = 4.0 medium, on the contrary, the two solubility indicators of ARI were both reduced for ARI-KAE cocrystal.

Sign in / Sign up

Export Citation Format

Share Document