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  • 1
    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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  • 2
    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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    Paper (German National Licenses)
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