X-ray crystal structures
The X ray crystal structures of primary aryl substituted selenoamides
... the X-ray crystal structures of some tertiary and secondary selenoamides have been documented [33-39], surprisingly, no structural information has been published on primary arylselenoamides ...
9
Synthesis, X-ray Crystal Structures, Computational
... The catechol oxidation reaction catalysed by the different copper complexes is studied by. 160[r] ...
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X ray crystal structures of the Type IVb Secretion System DotB ATPases
... exist regardless of the nucleotide-bound states of the proteins. Similar results were obtained in structural investigations of EspE and PilB, emphasizing the close structural similarities of DotB with Type II secretion ...
38
New ionophoric calix[4]arenediquinones: coordination chemistry, electrochemistry and X ray crystal structures
... Coordination Studies in the Solid State. Crystalline com- plexes of the calixdiquinone ligands were obtained by slow evaporation of a solution of the ligand in the presence of excess cation salt. Elemental analysis ...
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A crotonyl CoA reductase carboxylase independent pathway for assembly of unusual alkylmalonyl CoA polyketide synthase extender units
... thioesters. X-ray crystal structures of the unusual b-subunit of the acyl-CoA carboxylase (YCC) responsible for this reaction, alone and in complex with hexanoyl-CoA, reveal the molecular ...
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(4 Ethoxybenzoyl)[8 (4 ethoxybenzoyl) 2,7 dimethoxynaphthalen 1 yl]methanone
... the X-ray crystal structures of 1,8-diaroylated 2,7-di- methoxynaphthalene derivatives such as 1,8-bis(4-butoxylbenzoyl)-2,7-dimethoxynaphthalene ...
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Diastereoselective synthesis of highly substituted, amino and pyrrolidino tetrahydrofurans as lead like molecular scaffolds
... rates, the desired products 37 and 38 were formed in good yields and excellent diastereoselectivity (dr = ≥20:1 after work-up), with the same stereochemical preference as observed in the methylation, as confirmed through ...
19
Structural studies on silver(I) complexes containing phenylcyanamido ligands and uranyl(VI) complexes with beta ketophenolates : a dissertation presented in partial fulfilment for the degree of Master of Science in Chemistry at Massey University
... The X-ray crystal structures of two copperII complexes with anionic phenylcyanamides, namely [ {Cubipypycd2} 2] and [ {Cuphen3-ClpycdCH3CO2} 2]·2H2O phen is 1,10-phenanthroline and 3-Clp[r] ...
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Structural Investigations of the Fungal Lytic Polysaccharide Monooxygenase Reaction Mechanism using X-ray and Neutron Protein Crystallography.
... The biological relevance of CDH-to-LPMO electron transfer is most strongly supported by genomic and biochemical results recently reported by Kracher et al. [108]. Analysis of 97 fungal genomes revealed that cdh genes are ...
221
The mechanism of H171T resistance reveals the importance of Nδ protonated His171 for the binding of allosteric inhibitor BI D to HIV 1 integrase
... The x-ray crystal structures of BI-D binding to WT and H171T IN CCD dimers coupled with binding free energy calculations revealed the importance of the N δ - protonated imidazole group of ...
14
(2,7 Dimethoxynaphthalen 1 yl)(4 methoxyphenyl)methanone
... the X-ray crystal structures of 1,8- diaroylated 2,7-dimethoxynaphthalene derivatives such as 1,8-dibenzoyl-2,7-dimethoxynaphthalene (Nakaema et ...reported crystal structures of ...
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Design and synthesis of chemical probes for the protein kinase B PH domain
... Analysis of the X-ray crystal structures of apo PKBαPH and PKBαPH bound to Dmyo-inositol 1,3,4,5-tetrakisphosphate [InsP4, the inositol head group of PtdIns3,4,5P3] led to the design of [r] ...
203
Crystal structures of cristobalite type and coesite type PON redetermined on the basis of single crystal X ray diffraction data
... The crystal structure of the coe-PON phase has the space group C2/c with seven atomic sites in the asymmetric unit [two P and three (N,O) sites on general positions, one (N,O) site on an inversion centre and one ...
7
Synthesis and X Ray Structure of New Anticancer Nucleosides Based on 1 ((2 Hydroxyethoxy)methyl) 5 (phenylthio) 1H 1,2,4 triazole 3 carboxamide
... The crystal structures of 2 clearly revealed that it has well-defined geometry due to the rigidity that the fused rings confer on the ...Its structures and conformations were confirmed by single ...
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Application of X-ray Diffraction Methods and Molecular Mechanics Simulations to Structure Determination and Cotton Fiber Analysis
... SHELXTL is an integrated system of computer programs for the determination and refinement of crystal structures using diffraction data, and provides simple steps for publication of the results. The program ...
156
5 Hydroxy 4 (4 methylbenzoyl) 1,3 diphenyl 1H pyrazole
... tautomeric structures of these compounds have been extensively studied (Kataeva et ...The X-ray crystal structure analysis of the title compound, (I), was undertaken in order to study its ...
9
Syntheses, Characterization and DFT Analysis of Two Novel Thiaheterohelicene Derivatives
... dral angle between the terminal thiophene ring and the molecular center was ob- served to be 20.82˚ for the unsubstituted compound and 14.27˚ for the methyl subs- tituted compound, respectively. Furthermore, molecules ...
11
X-ray crystal structure of endosulfan sulfate
... The structures of α- and β-endosulfan were identified by NMR spectroscopy and X-ray crystallography [14], reporting that β-endosulfan is a symmetrical compound, whereas α–endosulfan exists as two ...
7
Crystal structures of crotonaldehyde semicarbazone and crotonaldehyde thiosemicarbazone from X ray powder diffraction data
... between the C1/C2/C3 crotonaldehyde plane and the mean plane of the C4/N1/N2/C5/S1/N3 thiosemicarbazone fragment for (II). All bond lengths and angles in (I) and (II) are normal and correspond well to those observed in ...
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Crystal structure of dicesium hydrogen citrate from laboratory single crystal and powder X ray diffraction data and DFT comparison
... the crystal structures of group 1 (alkali metal) citrate salts to understand the anion’s conformational flexibility, ionization, coordination tendencies, and hydrogen bonding, we have determined several new ...
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