Journal ArticleDOI
Structure of dibenzothiophen
Roger Schaffrin,James Trotter +1 more
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The structure of dibenzothiophen was determined with Mo-Kα diffractometer data by Patterson, electron-density, and least-squares methods, the final R being 0·083 for 1176 observed reflexions as discussed by the authors.Abstract:
Crystals of dibenzothiophen are monoclinic, a= 8·67 ± 1, b= 6·00 ± 1, c= 18·70 ± 2 A, β= 113·9°, Z= 4, space group P21/c. The structure was determined with Mo-Kα diffractometer data by Patterson, electron-density, and least-squares methods, the final R being 0·083 for 1176 observed reflexions. The molecule is slightly folded, the dihedral angles between the five-membered ring and the six-membered rings being 0·4 and 1·2°(σ∼ 0·2°). The bond distances and valency angles are similar to those in related molecules. The C–S bond length is 1·740(8)A, and the C–S–C angle is 91·5(4)°.read more
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Space-filling models for coal. 2. Extension to coals of various ranks
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5-(Alkynyl)dibenzothiophenium Triflates: Sulfur-Based Reagents for Electrophilic Alkynylation.
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The thermodynamic properties of dibenzothiophene
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Molecular dynamics simulation of desulfurization by ionic liquids
TL;DR: In this article, molecular dynamic simulations were performed to screen suitable ionic liquids (ILs) instead of the traditional method which is inefficient, and an all-atom force field was proposed for Dibenzothiophene (DBT) and dibenzethiophene 5,5-dioxide (DBTO(2)) to study the mechanism of desulphurization.
Journal ArticleDOI
Synthesis, characterization and antitumor properties of titanocene derivatives with thiophene containing ligands
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