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  • 1
    Electronic Resource
    Electronic Resource
    Crystallization of Helix pomatia agglutinin (HPA), a protein from the edible snail (1999)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 55 (1999), S. 1903-1905 
    Details
    ISSN: 1399-0047
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Crystals of Helix pomatia agglutinin (HPA) have been grown by the hanging-drop technique using polyethylene glycol as the precipitant at 293 K. Over a period of one to two weeks the crystals grew to maximum dimensions of 0.10 × 0.05 × 0.02 mm. The crystals belong to space group P6322, with unit-cell dimensions a = b = 63.3, c = 105.2 Å and Z = 12 identical monomers of Mr = 13 kDa, aggregating into two 78 kDa hexameric protein molecules per unit cell, each with symmetry 32 (D3). The diffraction pattern extends to 3.6 Å at 293 K.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0907444999007957
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  • 2
    Electronic Resource
    Electronic Resource
    Molecular and absolute crystal structure of pindolol-1-(1H-indol-4-yloxy)-3-[(1-methylethyl)amino]-2-propanol: A specific beta-adrenoreceptor antagonist with partial agonist activity (1995)
    Springer
    Journal of chemical crystallography 25 (1995), S. 195-199 
    Details
    ISSN: 1572-8854
    Keywords: Pindolol ; beta blockers ; amide
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of pindolol, 1-(1H indol-4-yloxy)-3-[(1-methylethyl)amino]-2-propanol, has been determined by direct methods. Crystals are tetragonal, $$P\bar 42_1 c$$ ,a=b=15.809(4),c=11.246(2) Å,Z=8,D c=1.174 mg m−3. The finalR-factor for 2271 reflections withI〉2σ(I) is 0.038. Refinement by full-matrix least-squares on F2 also enabled the absolute configuration of the structure to be established. The molecule is essentially planar, including much of the side-chain which is stabilized by the existence of two intramolecular H-bonds, between the ethyl oxygen and OH group, and between the OH and side-chain amide groups, respectively. The crystal structure is formed by three intermolecular hydrogen bonds including two side-chain-side-chain interactions, between ethyl oxygen to amide and OH to amide, and an interaction between the side-chain OH to indole NH.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01666106
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  • 3
    Electronic Resource
    Electronic Resource
    Crystal structure of 17-oxo-5α-androstano [3,4-C] 1′2′5′-oxadiazole (HS1000) (1998)
    Springer
    Journal of chemical crystallography 28 (1998), S. 725-729 
    Details
    ISSN: 1572-8854
    Keywords: Synthetic steroids ; progesterone analogs ; antifertility profiles
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound (C19H26N2O2) is one of a series of novel heteroatom steroidal derivatives recently prepared for testing their antifertility profiles and progesterone binding affinity. It is one of a pair of epimers differing in configuration at position 5. The X-ray analysis has uniquivocally resolved this ambiguity. The compound crystallizes in space group P212121, a = 9.257(3), b = 9.419(3), c = 19.089(5)Å, and Z = 4 and the structure was solved by direct methods. In the steroid skeleton Ring A does not exhibit the chair conformation commonly found in the steroid nucleus, being considerably strained, presumably as a consequence of the fused planar oxadiazole ring E. Rings B and C, however, are chairs and ring D is in an intermediate envelope/half-chair conformation. All rings of the steroid skeleton are trans connected.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1021856309954
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  • 4
    Electronic Resource
    Electronic Resource
    Crystal structure of 17β-hydroxy-17α-methyl-5α-androstano [2,3-C] Furazan (Furazabol) (1998)
    Springer
    Journal of chemical crystallography 28 (1998), S. 379-384 
    Details
    ISSN: 1572-8854
    Keywords: Synthetic steroids ; testosterone analog ; anabolic activity
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of 17β-hydroxy-17α-5α-androstano [2,3-C] Furazan, Furazabol (C20H24N2O2), has been determined by direct methods and refined by full matrix least squares to a final R of 0.0528 for 1927 observed reflections and 216 parameters, CuKα, λ = 1.54178 Å. The compound crystallizes with two molecules in the asymmetric unit, Z = 4, Dc = 1.131 Mg m−3 space group P21, with unit cell parameters a = 18.747(3), b = 6.346(5), c = 15.647(4) Å, β = 99.96(2)°, V = 1833.9 Å3, μ(CuKα) = 0.584 mm−1. Whilst the two independent molecules have similar overall geometry there are small differences in bond lengths, bond angles and torsion angles in rings A and D and significant conformational differences in ring A. The A ring adopts a half-chair conformation in molecule A and an intermediate between a half-chair and a sofa in molecule B. The D ring in molecule A has a 13β/14α half-chair conformation and in molecule B a conformation between an envelope and half-chair.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1022416309763
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  • 5
    Electronic Resource
    Electronic Resource
    Structure of 3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine isethionate solvate (lamotrigine isethionate) (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 701-706 
    Details
    ISSN: 1572-8854
    Keywords: lamotrigine ; lamictal ; hydrogen bonded complex ; x-ray crystallography ; crystal and molecular structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of lamotrigine isethionate, C9H8Cl2N5 + .HOC2H4SO3 − has been determined by direct methods. The compound crystallizes in the tetragonal space group I41/a. The isethionate moiety forms multiple hydrogen bonds to the lamotrigine nucleus, three from one isethionate, two from a symmetry related isethionate and a further two from two different symmetry related molecules. Protonation of N(2′) in the triazine ring, not observed in the native lamotrigine structure is presumably associated with the interaction of the isethionate moiety. Both rings in the lamotrigine moiety are essentially planar, with a dihedral angle of 66.08(7)° compared to 80.70° in native lamotrigine. The connecting bond length C(1)—C(6′) = 1.493(3) Å also correlates well with values in related compounds (1.480(3) Å) in the native structures.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009579922010
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