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  • 1
    Electronic Resource
    Electronic Resource
    Crystal structure of ethidium bromide (1971)
    Springer
    Journal of chemical crystallography 1 (1971), S. 3-15 
    Details
    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Crystals of ethidium bromide (2,7-diamino-9-phenyl-10-ethylphenanthridinium bromide) monohydrate are monoclinic,a = 9·577,b = 10·698,c = 20·242 Å, β = 106·34 °,Z = 4, space groupP21/c. The structure was determined with CuKα. diffractometer data by direct methods, and was refined by full-matrix least-squares methods toR = 0·058 for 2151 observed reflexions. The phenanthridinium ring is slightly non-planar; the phenyl ring makes an angle of 97 ° with the mean plane of the phenanthridine ring, and the ethyl group is rotated about the N-C bond 84 ° out of the mean plane. One of the amino nitrogen atoms has a pyramidal and the other a planar configuration. Only three of the six active hydrogen atoms participate in a hydrogen-bonding scheme, which involves the pyramidal nitrogen atom, the water molecule and the bromide ion. The phenanthridine rings of two molecules related by a centre of symmetry are separated by 3·50 Å.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01200914
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  • 2
    Electronic Resource
    Electronic Resource
    Binding of alkaline earth metal ions to nucleotides: crystal structure of a hydrated strontium salt of inosine-5′-monophosphate (1980)
    Springer
    Journal of chemical crystallography 10 (1980), S. 19-30 
    Details
    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Crystals of Sr2+ (C10H11PN4O8)2− · 6.5H2O are orthorhombic, space groupP212121, witha = 21.925(1),b = 21.503(1),c = 8.600(1) Å, and eight formula weights per unit cell. A trial structure was obtained by Patterson, superposition, and Fourier techniques and was refined by full-matrix least-squares calculations using absorption-corrected, CuKα, diffractometer data. The finalR index is 0.032. A strontium ion is coordinated to N(7), the site that is often involved in the binding of transition metals to purine nucleotides. Strontium ions are also directly coordinated to a phosphate-oxygen atom and to ribose-hydroxyl groups. These direct interactions are accompanied by a number of outer-sphere, water-mediated contacts of strontium ions with various acceptor sites on the nucleotides.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01209550
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  • 3
    Electronic Resource
    Electronic Resource
    Crystal structure of ethidium monoazide, a photoactive compound that reacts with nucleic acids (1978)
    Springer
    Journal of chemical crystallography 8 (1978), S. 93-103 
    Details
    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of ethidium monoazide, a photoactive derivative of ethidium, was determined from X-ray diffraction data. Crystals of 8-azidoethidium chloride monohydrate are monoclinic, space groupP21/c, witha = 8.336(5),b = 14.778(6),c = 16.873(5) Å, and β = 99.90(3) ° The crystals are poorly ordered, weakly diffracting, and unstable in air. Intensity data were collected with an automated diffractometer from a crystal that was sealed in a thin-walled glass capillary. The structure was solved by direct methods and was refined by least squares toR = 0.20 for the complete set of 2126 unique reflections, and toR = 0.11 for 724 reflections with1 〉 2σ(I). The results demonstrate that the photoactive azide moiety is attached to the 8-position of the phenanthridinium moiety. This azide group is almost linear, is nearly in the plane of the phenanthridinium ring, and is oriented away from the phenyl substituent (i.e.,trans to the C(7)-C(8) bond). Possible models for intercalation complexes of 8-azidoethidium with double-helical nucleic acids were examined by modifying published coordinates from crystal structures of ethidium-dinucleotide complexes. When in the conformation observed in this crystal structure, 8-azidoethidium can be substituted for ethidium in the published complexes without suffering any unacceptable steric interactions.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01370420
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  • 4
    Electronic Resource
    Electronic Resource
    Crystal structures ofN(6)-methyladenine hydrochloride andN(6),N(9)-dimethyladenine (1978)
    Springer
    Journal of chemical crystallography 8 (1978), S. 263-277 
    Details
    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structures ofN (6)-methyladenine hydrochloride (6-MA·HCl) and ofN (6),N (9)-dimethyladenine (6,9-DMA) were determined by the use of X-ray diffractometer data. Crystals of 6-MA·HCl are monoclinic, space groupP21/m, witha = 9.3450(6),b = 6.5838(4),c = 7.3142(3) Å, β = 114.837(4) °, andZ = 2. Crystals of 6,9-DMA are monoclinic, space groupP21/c, witha = 12.045(3),b = 6.135(2),c = 23.27(1) Å, β = 111.79(3), andZ = 8. The crystal structures were refined by least-squares toR = 0.053 for 6-MA·HCl andR = 0.071 for 6,9-DMA. The N(1)-protonated adenine derivative in the 6-MA·HCl crystal structure and the two crystallographically independent adenine derivatives in the 6,9-DMA structure all assume conformations in which the methyl substituent at N(6) is in or near the purine plane, and is pointing away from the imidazole moiety.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01200481
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