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  • 1
    Electronic Resource
    Electronic Resource
    Molecular structure of 1-ammo-5-acetyl-4,5-dimethyl-2,3,3-tricyanocyclopentene (1993)
    Springer
    Russian chemical bulletin 42 (1993), S. 1816-1820 
    Details
    ISSN: 1573-9171
    Keywords: 2,3, 3-tricyano-substituted cyclopentene ; molecular structure ; interactions of molecular orbitals
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The structure of 1-amino-5-acetyl-4,5-dimethyl-2,3,3-tricyanocyclopentene was determined by X-ray analysis. The origin of the observed molecular conformation and lengthening of the endocyclic bonds C(3)-C(4) 1.565 Å and C(4)-C(5) 1.558 Å are discussed. With the use of molecular orbital perturbation theory it was shown that weakening of the C(3)-C(4) bond due to interactions of molecular orbitals in the -C(CN)2-CP1R2R3 (R1, R2, R3≠CN) fragment is one of the causes for lengthening of this bond.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00698994
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  • 2
    Electronic Resource
    Electronic Resource
    Autoassembly of cage structures (1994)
    Springer
    Russian chemical bulletin 43 (1994), S. 1854-1856 
    Details
    ISSN: 1573-9171
    Keywords: dilactone ; conformation ; molecular structure ; X-ray diffraction analysis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The molecular structure of 1,4-dimethyl-2,5-dioxabicyclo[2.2.2]octane-3,6-dione (1) has been determined by X-ray diffraction analysis. The skeleton of dilactone1 has a synchro(+,+,+)-twist conformation with dihedral angles φ=4.0° for the hydrocarbon bridge bonds and φ=4.4, 4.6° for the lactone bridge bonds.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00696315
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Asymmetric nitrogen (1995)
    Springer
    Russian chemical bulletin 44 (1995), S. 483-486 
    Details
    ISSN: 1573-9171
    Keywords: molecular structure ; conformation ; proline ; hydrazone ; diaziridine
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The molecular structure of 3-methyl-1-((S)-1′-tosylprolyl)1,2-diazacyclohex-2-ene, the product of the reaction of 5-methyl-1,6-diazabicyclo[3.1.0]hexane with (S)-N-tosylproline chloride, has been established by X-ray structural analysis. The pyrrolidine cycle has a half-chair conformation with the pyramidal nitrogen atom; the tosyl and pseudo axial carbamoyl groups havetrans orientations. The diazacyclohexene cycle has an envelope conformation with folding along the C(7)...C(9) line. The stereochemistry of the transition state of the above-mentioned reaction is discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00702393
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  • 4
    Electronic Resource
    Electronic Resource
    Conformation of BEDT-TTF molecules in the crystal (1992)
    Springer
    Russian chemical bulletin 41 (1992), S. 692-695 
    Details
    ISSN: 1573-9171
    Keywords: organic conductors ; bis(ethylenedithio)tetrathiafulvalene = BEDT-TTF ; conformation ; molecular structure ; quantum chemical calculations
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Based on comparison of low-temperature x-ray diffraction data for BEDT-TTF salts and quantum chemical MNDO calculations, we have shown that the most energetically favorable conformation of the BEDT-TTF molecule is not realized in the crystal. A local energy minimum 0.035 eV above the ground state corresponds to the conformation detected in the crystal. The x-ray diffraction data and the MNDO results suggest weak participation of the heteroatoms of the six-membered rings in the conjugation with the π-system of the TTF-fragment in the BEDT-TTF and BEDO-TTF molecules.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01150894
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    Paper (German National Licenses)
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