scholarly journals Spectral Characterization and Crystal Structure of 1,2-Bis-(1H-benzimidazol-2-yl)-ethane Dihydrochloride

2013 ◽  
Vol 2013 ◽  
pp. 1-5
Author(s):  
Aydin Tavman ◽  
Cigdem Sayil
Keyword(s):  
Crystal Structure ◽  
Nmr Spectroscopy ◽  
Nmr Spectra ◽  
Room Temperature ◽  
X Ray Diffraction ◽  
X Ray ◽  
Triclinic System ◽  
Ir And Nmr Spectroscopy ◽  
Ft Ir ◽  
System Characteristics

The crystal structure of 1,2-bis-(1H-benzimidazol-2-yl)-ethane dihydrochloride (1) was determined by X-ray diffraction at room temperature. The structure of1was also characterized by mass, elemental analysis, FT-IR, and NMR spectroscopy techniques. The title compound crystallizes in triclinic system and space group P-1,a=7.1350,b=9.6299(1),c=15.3340(7)Å,α=80.67(2),β=79.66(2),γ=68.395(11)∘,V=958.33(10)Å3,Z=2. Owing to theanticonformations of –CH2– groups, the entire molecule is relatively flat.H1-NMR spectra of1show AA′XX′system characteristics.

scholarly journals Palladium(II) complexes with R2edda derived ligands, Part III: Diisobutyl (s,s)-2,2'-(1,2-ethanediyldiimino)di(4-methylpentanoate) and its palladium(II) complex: Synthesis and characterization

2009 ◽  
Vol 74 (11) ◽  
pp. 1249-1258 ◽  
Author(s):  
Bojana Zmejkovski ◽  
Goran Kaludjerovic ◽  
Santiago Gómez-Ruiz ◽  
Tibor Sabo
Keyword(s):  
Crystal Structure ◽  
Nmr Spectroscopy ◽  
Hydrogen Bonds ◽  
Nmr Spectra ◽  
Symmetry Axis ◽  
Layer Structure ◽  
Synthesis And Characterization ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ir And Nmr Spectroscopy

A new R2edda-type ester, diisobutyl (S,S)-2,2'-(1,2-ethane-diyldiimino) di(4-methylpentanoate) dihydrochloride, [(S,S)-H2iBu2eddl]Cl2, 1, and its palladium(II) complex, dichloro(diisobutyl (S,S)-2,2'-(1,2-ethanediyldiimino) di(4-methylpentanoate))palladium(II), [PdCl2{(S,S)-iBu2eddl}], 2, were synthesized and characterized by elemental analysis, as well as IR and NMR spectroscopy. It was found that complex 2 was obtained as mixture of two diastereoisomers, observed in NMR spectra. The crystal structure of compound 1 was determined by X-ray diffraction studies and is described. The isolated crystals consisted of one dicationic species [(S,S)-H2iBu2eddl]2+ and two Cl-. The crystal system was tetragonal with the space group P42. Hydrogen bonds significant for the manner of packing are N-H1N???Cl, 3.049(3) ?, 159(3)? and N-H2N???Cl, 3.100(3) ?, 164(3)?. An infinite chain was formed building a one layer structure, usual for these types of compounds. The C2 symmetry axis of the compound passes through the C1-C1i bond vector and lies perpendicular to the plane N2Cl2.

scholarly journals Exploring the Structural Chemistry of Pyrophosphoramides: N,N′,N″,N‴-Tetraisopropylpyrophosphoramide

Chemistry ◽  
2021 ◽  
Vol 3 (1) ◽  
pp. 149-163
Author(s):  
Duncan Micallef ◽  
Liana Vella-Zarb ◽  
Ulrich Baisch
Keyword(s):  
Crystal Structure ◽  
Mass Spectrometry ◽  
Nuclear Magnetic Resonance ◽  
Hydrogen Bonding ◽  
Nmr Spectroscopy ◽  
Ir Spectroscopy ◽  
Room Temperature ◽  
Intermolecular Hydrogen Bonding ◽  
X Ray Diffraction ◽  
X Ray

N,N′,N″,N‴-Tetraisopropylpyrophosphoramide 1 is a pyrophosphoramide with documented butyrylcholinesterase inhibition, a property shared with the more widely studied octamethylphosphoramide (Schradan). Unlike Schradan, 1 is a solid at room temperature making it one of a few known pyrophosphoramide solids. The crystal structure of 1 was determined by single-crystal X-ray diffraction and compared with that of other previously described solid pyrophosphoramides. The pyrophosphoramide discussed in this study was synthesised by reacting iso-propyl amine with pyrophosphoryl tetrachloride under anhydrous conditions. A unique supramolecular motif was observed when compared with previously published pyrophosphoramide structures having two different intermolecular hydrogen bonding synthons. Furthermore, the potential of a wider variety of supramolecular structures in which similar pyrophosphoramides can crystallise was recognised. Proton (1H) and Phosphorus 31 (31P) Nuclear Magnetic Resonance (NMR) spectroscopy, infrared (IR) spectroscopy, mass spectrometry (MS) were carried out to complete the analysis of the compound.

Preparation, properties, and X-ray crystal structure of a 1:1 complex of tetrathiafulvalene and p-dinitrobenzene

1982 ◽  
Vol 60 (16) ◽  
pp. 2057-2061 ◽  
Author(s):  
Martin R. Bryce ◽  
Anthony S. Secco ◽  
James Trotter ◽  
Larry Weiler
Keyword(s):  
Crystal Structure ◽  
Room Temperature ◽  
Direct Methods ◽  
X Ray Diffraction ◽  
Crystalline Complex ◽  
X Ray ◽  
Triclinic System ◽  
Donor Acceptor ◽  
Bulk Magnetic Susceptibility ◽  
R Value

A crystalline complex of tetrathiafulvalene and p-dinitrobenzene has been prepared and characterised by esr and ir spectroscopy, bulk magnetic susceptibility, dc conductivity, and an X-ray diffraction analysis. It is a neutral 1:1 complex which is an insulator at room temperature, σRT = 2.5 × 10−7 ohm−7 cm−1. The complex crystallizes in the triclinic system, space group [Formula: see text] with cell constants a = 6.915(1), b = 7.615(1), c = 8.149(1) Å, α = 79.39(1), β = 69.55(1), γ = 70.81(1)°, Z = 1. Data were collected on an Enraf-Nonius CAD-4 diffractometer. The structure was solved by direct methods and refined to an R-value of 0.028 for 1222 observed reflections. The structure consists of molecules stacked in an alternating donor–acceptor fashion along the c-axis. Mixed sheets parallel to [Formula: see text] are comprised of tetrathiafulvalene and p-dinitrobenzene molecules arranged end-on in the [021] direction.

Synthesis and Crystal Structure of 2-Hydroxyl-4-Methyl-Thioxanthone

2012 ◽  
Vol 581-582 ◽  
pp. 189-192
Author(s):  
Yin Zhi Jiang ◽  
Kuan Xiong ◽  
Yang Zou ◽  
Xiao Long Gao
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Molecular Hydrogen ◽  
Nmr Spectra ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Triclinic System ◽  
C 23

The title compound, 2-hydroxyand-4-methylthioxanthone（C14H10O2S）has been prepared from 2,2'-dithiosalicylic acid and 3-methylphenonl and characterized by IR and 1H NMR spectra. The yield was higher in the presence of P2O5.Its crystal structure was determined by single-crystal X-ray diffraction. Crystal data for the title compound: the triclinic system, space group P-1, with a = 7.4699(11)Å, b = 7.4839(11) (13)Å,c = 19.659(3) (11)Å,α=87.981(3) º,β= 85.678(3) º , γ= 82.618(3) º，Z=2，V= 1086.5(3) Å 3，Dc= 1.481mg.m-3,F（000）=504,µ= 0.281mm-1,R=0.0588 and wR= 0.1333.The results of crystal structure determination show that there exist intra-molecular hydrogen bonds, resulting in a framework of dimmers. C(1), C(2), C(3), C(4), C(5), C(6), C(7), C(8), C(9), C(10), C(11), C(12), C(13) and S(1) is coplanar in one molecular of the dimmer, and C(15), C(16), C(17), C(18), C(19), C(20), C(21), C(22), C(23), C(24), C(25), C(26),C(27) and S(2) is coplanar in the other molecular of the dimmer. The dihedral angle between the two molecular plans is 28.10（0.08）, which shows that two molecular plans is not parallel in the framework of dimmers.

Synthesis and Crystal Structure of Schiff Bases Based on AMTTO (AMTTO = 4-Amino-6-methyl-3-thio-3,4-dihydro-1,2,4-triazin- 5(2H)-one)

2006 ◽  
Vol 61 (11) ◽  
pp. 1421-1425 ◽  
Author(s):  
Maasoomeh Tabatabaee ◽  
Mitra Ghassemzadeh ◽  
Behnaz Zarabi ◽  
Bernhard Neumüllerc
Keyword(s):  
Crystal Structure ◽  
Mass Spectrometry ◽  
Nmr Spectroscopy ◽  
Microwave Irradiation ◽  
Schiff Bases ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Ir And Nmr Spectroscopy

Reaction of 4-amino-6-methyl-3-thio-3,4-dihydro-1,2,4-triazin-5(2H)-one (1) with 2-methoxybenzaldehyde, 4-methoxybenzaldehyde, 2-pyridinecarbaldehyde, and 2,4-dichlorobenzaldehyde under classical heating and microwave irradiation in a solventfree system led to the corresponding imines (Schiff bases) 2-5. All synthesized compounds have been characterized by IR and NMR spectroscopy, mass spectrometry and by X-ray diffraction studies.

A Dinuclear Adduct of bis(di-sec-butyl dithiophosphato) Cadmium(II) Built around the Hexamethylenetetramine Cage as Coordination Center

2008 ◽  
Vol 59 (11) ◽  
Author(s):  
Liviu Bolundut ◽  
Ionel Haiduc ◽  
Mary F. Mahon ◽  
Kieran C. Molloy
Keyword(s):  
Nmr Spectroscopy ◽  
Diffraction Analysis ◽  
The Other ◽  
Dinuclear Complex ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ir And Nmr Spectroscopy ◽  
Coordination Center ◽  
Chelating Ligand ◽  
Ft Ir

Bis(di-sec-butyldithiophosphato)cadmium(II) forms a 2:1 adduct with hexamethylenetetramine (urotropine), which was characterized by FT-IR and NMR spectroscopy. The compound is a dinuclear complex with the cadmium atoms coordinated at two nitrogen atoms of hexamethylenetetramine cage which is the actual coordination center. The X-ray diffraction analysis of the complex reveals a distorted square pyramidal coordination of the five-coordinate cadmium atoms. At each cadmium, one dithiophosphato group behaves as slightly anisobidentate whereas the other one is an isobidentate chelating ligand.

Di[(hydroxyalkyl)dimethylammonium] tris[benzene-1,2-diolato(2–)]silicates and their germanium analogs: syntheses, crystal structure analyses, and NMR studies

2000 ◽  
Vol 78 (11) ◽  
pp. 1380-1387
Author(s):  
Reinhold Tacke ◽  
Alistair Stewart ◽  
Joachim Becht ◽  
Christian Burschka ◽  
Ingo Richter
Keyword(s):  
Crystal Structure ◽  
Nmr Spectroscopy ◽  
Aqueous Solutions ◽  
Room Temperature ◽  
Model Systems ◽  
X Ray Diffraction ◽  
Nmr Studies ◽  
X Ray ◽  
Germanium Silicon ◽  
And Storage

Treatment of Si(OMe)4 with three molar equivalents of 1,2-C6H4(OH)2 (= 1,2-dihydroxybenzene) and two molar equivalents of HO(CH2)nNMe2 (n = 2, 3) in acetonitrile at room temperature yields the λ6Si-silicates (HO(CH2)nNMe2H)2(SiL3) (5: n = 2; 6: n = 3; L2– = 1,2-C6H4(O)22– (= benzene-1,2-diolato(2–))). The analogous λ6Ge-germanates (HO(CH2)nNMe2H)2(GeL3) (7: n = 2; 8: n = 3) were synthesized analogously starting from Ge(OMe)4. Compounds 5·2CH3CN and 6-8 were structurally characterized by single-crystal X-ray diffraction. In addition, aqueous solutions of the Si/Ge analogs 5/7 and 6/8 were studied by NMR spectroscopy. The title compounds may be regarded as model systems for the transport and storage of silicon in biological systems and as tools to investigate biosilification.Key words: hexacoordinate silicon, hexacoordinate germanium, silicon biochemistry

Investigation of Phosphorus Site Condensation in CaHPO4 by Analysis of 31P MAS-NMR Tensor and X-Ray Powder Patterns

2006 ◽  
Vol 61 (7-8) ◽  
pp. 375-382 ◽  
Author(s):  
Faouzi Hlel ◽  
Saber Kamoun ◽  
Kamel Guidara
Keyword(s):  
Nmr Spectroscopy ◽  
Nmr Spectra ◽  
Room Temperature ◽  
Chemical Shifts ◽  
Mas Nmr ◽  
Slow Evaporation ◽  
X Ray Diffraction ◽  
X Ray ◽  
Annealing Temperatures ◽  
31P Mas Nmr

CaHPO4 was obtained by slow evaporation at room temperature. Seven samples, obtained at different annealing temperatures, were characterized by X-ray diffraction and 31P MAS-NMR spectroscopy. All NMR spectra were analyzed using a DMFIT program. At room temperature, the observed 31P NMR chemical shifts for the title compound were −1.59, −0.36 and 1.26 ppm with the relative intensities 39%, 10% and 51%, revealing the presence of three non-equivalent phosphorus sites in the structure. The investigation of the NMR tensor shift of all spectra shows that the abounding HPO2−4 anion was progressively transformed into P2O4−7 when the temperature increased

Unusual Rearrangement of Naphthalene in the Synthesis of a Novel B8-B8-Bridged Derivative in the [(1,2-C2B9H11)2-3-Co]- Series. X-Ray Structure and 11B NMR Spectra of [8,8'-μ-(CH2-C9H6)-(1,2-C2B9H10)2-3-Co]- (CH3)4N+

1997 ◽  
Vol 62 (5) ◽  
pp. 746-751 ◽  
Author(s):  
Andreas Franken ◽  
Jaromír Plešek ◽  
Christiane Nachtigal
Keyword(s):  
Nmr Spectroscopy ◽  
Single Crystal ◽  
Nucleophilic Substitution ◽  
Nmr Spectra ◽  
X Ray Diffraction ◽  
X Ray ◽  
Unusual Rearrangement ◽  
Multinuclear Nmr Spectroscopy ◽  
11B Nmr ◽  
Isolated Compound

On treatment of the [(1,2-C2B9H11)2Co]- ion with naphthalene in presence of AlCl3 a remarkably bridged [8,8'-μ-(CH2-C9H6)-(1,2-C2B9H10)2-3-Co]- ion is obtained as a single isolated compound. The triatomic -CH2-C9H6- bridge is derived from the rearranged naphthalene nucleus. The mechanism of this reaction is obscure but it does resemble the "Electrophile-Induced Nucleophilic Substitution" reported earlier. The structure of the compound was established by multinuclear NMR spectroscopy and by single crystal X-ray diffraction.

scholarly journals Synthesis of Magnetic Ferrocene-Containing Polymer with Photothermal Effects for Rapid Degradation of Methylene Blue

Polymers ◽  
2021 ◽  
Vol 13 (4) ◽  
pp. 558
Author(s):  
Wenhui Zhu ◽  
Caiyun Zhang ◽  
Yali Chen ◽  
Qiliang Deng
Keyword(s):  
Methylene Blue ◽  
Photoelectron Spectroscopy ◽  
Room Temperature ◽  
Degradation Rate ◽  
Model Compound ◽  
Vibrating Sample Magnetometer ◽  
Simulated Sunlight ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ft Ir

Photothermal materials are attracting more and more attention. In this research, we synthesized a ferrocene-containing polymer with magnetism and photothermal properties. The resulting polymer was characterized by Fourier-transform infrared (FT-IR), vibrating sample magnetometer (VSM), scanning electron microscope (SEM), energy dispersive X-ray spectroscopy (EDS), X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), and thermogravimetric analysis (TGA). Its photo-thermocatalytic activity was investigated by choosing methylene blue (MB) as a model compound. The degradation percent of MB under an irradiated 808 nm laser reaches 99.5% within 15 min, and the degradation rate is 0.5517 min−1, which is 145 times more than that of room temperature degradation. Under irradiation with simulated sunlight, the degradation rate is 0.0092 min−1, which is approximately 2.5 times more than that of room temperature degradation. The present study may open up a feasible route to degrade organic pollutants.

Sign in / Sign up

Export Citation Format

Share Document