Direct Methods Crystal Structure Determination
Application of X-ray Diffraction Methods and Molecular Mechanics Simulations to Structure Determination and Cotton Fiber Analysis
... the determination and refinement of crystal structures using diffraction data, and provides simple steps for publication of the ...trial structure solutions by calculating the phases of a subset of ...
156
Crystal Structure Determination and Hydrogen Bonding Patterns in 2 Pyridinecarboxamide
... least-squares methods using 1292 reflections in the 2 range ...The structure was solved by direct methods using the SHELXS program [25] and refined by a full-matrix least-squares calculation ...
5
Microwave Assisted Selective Synthesis of four Chromanones Via Biscyclization Method in the Presence of Polyphosphoric Acid and Crystal Structure Determination of Their Dicarboxylic Acids
... Other methods such as direct Friedel-Crafts acylation or Fries rearrangement followed by the intramolecular cyclization have been used with moderate success ...
8
The Determination of the Crystal Structure of Potassium Picrate
... The para nitro group is twisted 6° out of the plane of the benzene ring , apparently due to ionic attraction of the oxygen atoms to neighboring potassium ions... The ortho nitro.[r] ...
98
Synthesis, Characterization, and Crystal Structure Determination of a New Indium (III) Complex: [In(5,5’-DiMeBiPy)Cl3(DMSO)].2(DMSO)
... is 6-methyl-2,2'-bipyridine). Herein the synthesis, characterization and crystal structure of a new indium(III) complex containing 5,5’-Dimethyl-2,2’- bipyridine ligand by the formula of [In(5,5’-DiMeBiPy) ...
5
Anodic Determination of Acetylsalicylic Acid at Multiwall Carbon Nanotubes-Epoxy Composite Electrode
... and a very good linearity with a correlation coefficient, R 2 =0.999. The tested real sample example was prepared under the conditions mentioned in the experimental part and using a 0.594 g Aspirin tablet dissolved in ...
12
`Pd20Sn13' revisited: crystal structure of Pd6 69Sn4 31
... Geometry . All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of ...
14
5,8 Dimethoxy 3 methylisochroman
... X-ray structure determination on the product, (2), con®rmed that the heterocyclic ring adopts a half-chair conformation, with the C-3 methyl substituent in an equatorial position ...
8
Monoclinic form of 7 nitro 2 phenyl 1,2 benzisoselenazol 3(2H) one
... The structure of (I) was determined by X-ray diffraction and shown to be 7-nitro-2-phenyl-1,2-benzisoselenazol-3(2H)-one crystallized in a monoclinic ...triclinic structure, (II), determined from a sample ...
9
Structure Parameters of the Au 49 5 at%Cd Martensite at Various Temperatures Approaching the Reverse Transformation Temperature As
... Since the absorption coefficient of Au–Cd alloy is very large, absorption corrections were carried out. The absorption coefficient of Au–49.5 at%Cd for CuK and MoK were 3.04 and 1:11 10 5 m 1 , respectively, which were ...
5
Comparative Voltammetric Behavior and Determination of Mephenesin in Pure Form, Pharmaceuticals and Biological Fluids at Pencil Graphite and Glassy Carbon Electrodes
... Mephenesin, 3-(2-methylphenoxy)propane-1,2-diol (Mep) (Figure 1), is a centrally acting muscle relaxant drug [1, 2] that can be used as an antidote for strychnine poisoning and a topical analgesic. However, it presents ...
10
Relationship between direct and indirect methods for determination of anaerobic running speed.
... lactate methods and indirect methods, such as Vcrit ...different methods of the AnT identification and if these show relationships with the Vcrit, mainly when both methods are performed in ...
9
Tetrakis(trimethylsilyl)methane
... originally determined by powder diffraction methods, has been redetermined using single-crystal data. The molecule is located on a threefold rotation axis with the methane C and one of the Si atoms located ...
5
Crystal structure and Hirshfeld surface analysis of a copper(II) complex with ethylenediamine and non coordinated benzoate
... Carboxylates are employed in the synthesis of new transition- metal complexes because they can stabilize them and addi- tionally display different coordination modes such as mono- dendate, bidendate, bridging (syn–syn, ...
20
Reactions of Tetracyclone Molybdenum Complexes with Electrophilic Alkynes: Cyclopentadienone-Alkyne Coupling and Alkyne Coordination
... The main structural change concerns the alkyne ligand. The Mo-C distances have increased significantly, in accordance with the idea that the alkyne is less strongly bound in the oxo complex. Although the C≡C bond length ...
24
Preparation and Crystal Structure Determination of Zinc (II) Bromide Complexes at the Presence of Various Ligands
... elemental analysis (CHN) and their crystal structures are investigated by single crystal X-ray diffraction. In complex 1, the TSC coordinates to the zinc (II) ion as a bidentate ligand via N and S atoms. In ...
9
Structural and optical studies of zno nanorods prepared of nanorods prepared by hydrothermal method
... The ultraviolet-visible (UV-Vis) spectrophotometer is an instrument commonly used in the laboratory that analyzes compounds in the ultraviolet (UV) and visible (Vis) regions of the electromagnetic spectrum. The ...
6
The determination of the crystal structure of the metallo β-lactamase from Stenotrophomonas maltophilia and mechanistic studies.
... the structure o f LI could not be determined by molecular replacement ...a structure based alignment of LI with ccrA and BCII (using just c-alpha models) showed an average ...the structure o f ccrA ...
165
Shared and Group-Specific Features of the Rotavirus RNA Polymerase Reveal Potential Determinants of Gene Reassortment Restriction
... both direct and indirect, prevent intergroup genetic exchange. Direct determinants re- fer to the capacity of “foreign” RV genes to be packaged and replicated by another group’s ...a direct ...
14
Development of nuclear magnetic resonance methods for determination of membrane protein structure
... The structure of the erythrocyte membrane in which GpA is located, is composed of up to 52% membrane proteins, 40% lipid bilayer and 8% carbohydrates (Smith ...
233