Atropisomer-selective ligand-coupling reactions of sulfoxides. X-Ray molecular and crystal structures for 2-({2-(4-chlorophenyl)naphtho[1,2-b]thiophen-3-yl}amino)-2-methylpropan-1-ol, 2-(2-hydroxy-1,1-dimethylethyl)-2,3-dihydronaphtho[2,1-d]isothiazol-3-one and (R)-(+)-2-bromo-1-(tert-butylsulfinyl)naphthalene

1995 ◽  
pp. 2615-2629 ◽  
Author(s):  
Robert W. Baker ◽  
David C. R. Hockless ◽  
Geoffrey R. Pocock ◽  
Melvyn V. Sargent ◽  
Brian W. Skelton ◽  
...  
Keyword(s):  
Crystal Structures ◽  
Coupling Reactions ◽  
X Ray ◽  
Selective Ligand ◽  
Molecular And Crystal Structures

Molecular and crystal structures of chitosan/HI type I salt determined by X-ray fiber diffraction

2004 ◽  
Vol 339 (4) ◽  
pp. 825-833 ◽  
Author(s):  
Amornrat Lertworasirikul ◽  
Shingo Yokoyama ◽  
Keiichi Noguchi ◽  
Kozo Ogawa ◽  
Kenji Okuyama
Keyword(s):  
Crystal Structures ◽  
Type I ◽  
X Ray ◽  
Fiber Diffraction ◽  
Molecular And Crystal Structures

1,5-Diamino-1H-1,2,3,4-tetrazolium picrate: X-ray molecular and crystal structures and ab initio MO calculations

2003 ◽  
Vol 649 (3) ◽  
pp. 309-314 ◽  
Author(s):  
Vadim E Matulis ◽  
Alexander S Lyakhov ◽  
Pavel N Gaponik ◽  
Sergei V Voitekhovich ◽  
Oleg A Ivashkevich
Keyword(s):  
Ab Initio ◽  
Crystal Structures ◽  
Mo Calculations ◽  
X Ray ◽  
Ab Initio Mo Calculations ◽  
Molecular And Crystal Structures ◽  
Ab Initio Mo

Reaktionen von 2-Methyl-1H-benzimidazol mit Schwefelkohlenstoff und Phenylisothiocyanat. Kristall- und Molekülstruktur von 1,1′ -Carbonothioyl-bis(2-methyl-1H-benzimidazol) und 2-Methyl-1-(ethoxycarbonylmethylthio-phenylimino)-1H-benzimidazol / Reactions of 2-Methyl-1 H-benzimidazole with Carbon Disulfide and Phenyl Isothiocyanate. Molecular and Crystal Structures of 1,1′-Carbonothioyl-bis(2-methyl-1 H-benzimidazole) and 2-Methyl-1-(ethoxycarbonylmethylthio-phenylimino)-1 H-benzimidazole

1995 ◽  
Vol 50 (5) ◽  
pp. 837-843 ◽  
Author(s):  
Wolfgang Dölling ◽  
Helmut Hartungb ◽  
Matthias Biedermann
Keyword(s):  
Crystal Structures ◽  
Methyl Iodide ◽  
Carbon Disulfide ◽  
Alkylating Agent ◽  
Sodium Hydride ◽  
Phenyl Isothiocyanate ◽  
Reaction Products ◽  
X Ray ◽  
Molecular And Crystal Structures

Abstract 2-Methyl-1 H-benzimidazole 1 reacts in the presence of two equivalents of sodium hydride in dry DMSO with carbon disulfide to methyl 2-methylbenzimidazole-1-dithiocarboxylate 3 using methyl iodide as alkylating agent, whereas using 1,2-dibromoethane 1,1′-carbonothioyl bis(2-methyl-1 H-benzimidazole) 5 is formed. Compound 1 reacts with phenyl isothiocyanate in the presence of one equivalent of sodium hydride in dry DMF after alkylation to 2-methyl-1-( alkylthio-phenylimino)-1 H-benzimidazoles 6a, 6b. Reaction products 5 and 6b have been identified and structurally characterized by X-ray analysis.

Molekül-und Kristallstrukturen des Dibrom- und Dijodmaleinsäurethioanhydrids Zum Verständnis der Korrelation zwischen / Crystal Structures of Dibrom- and Diiod Maleic Acid Thioanhydride

1980 ◽  
Vol 35 (1) ◽  
pp. 14-17 ◽  
Author(s):  
Walter Gonschorek
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Maleic Acid ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants ◽  
Molecular And Crystal Structures

Abstract The molecular and crystal structures of dibrom maleic acid thioanhydride and diiod maleic acid thioanhydride have been determined by means of single-crystal X-ray intensities. The crystal structures are isomorphous and have the space group P41212 (enantiomorphous with P43212). The lattice constants are a = 7.543 Å, c = 12.155 Å (DBMTA) and a = 7.816 Å, c = 12.348 Å (DIMTA). The five-membered rings of the molecules are planar with maximum deviations of 0.003 Å (DBMTA) and 0.005 Å (DIMTA). Adjacent molecules are held together by van-der-Waals-forces.

1-Vinyl-5-amino-1H-tetrazole: X-ray molecular and crystal structures and quantum-chemical DFT calculations

2008 ◽  
Vol 876 (1-3) ◽  
pp. 260-267 ◽  
Author(s):  
Alexander S. Lyakhov ◽  
Vadim E. Matulis ◽  
Pavel N. Gaponik ◽  
Sergei V. Voitekhovich ◽  
Oleg A. Ivashkevich
Keyword(s):  
Dft Calculations ◽  
Crystal Structures ◽  
Quantum Chemical ◽  
X Ray ◽  
Molecular And Crystal Structures ◽  
Quantum Chemical Dft Calculations
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