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  • Springer  (4)
  • 1
    Electronic Resource
    Electronic Resource
    The crystal and molecular structure of chandonium dibromide: A synthetic bisquaternary aza steroidal neuromuscular blocking agent (1994)
    Springer
    Journal of chemical crystallography 24 (1994), S. 225-230 
    Details
    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of 17a-methyl-3-pyrrolidino-17a-aza-D-homo-5-androstene dimethyl bromide (HS818, chandonium dibromide). C26H46N2Br2, has been determined crystallographically by the heavy atom method and refined by full-matrix least-squares calculations toR =0.074 for 5045 reflections. The compound crystallizes in space groupP212121 witha=6.468(2),b=14.055(5),c=28.216(11) Å. The N+...N+ inter-onium distance in chandonium bromide is 10.32 Å, close to the distance of 10.29 Å observed in chandonium iodide. Rings A, C, and D have a chair conformation and ring B is in a half-chair conformation. Ring E has a distorted envelope conformation. All rings in the steroid skeleton aretrans-connected.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01672414
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  • 2
    Electronic Resource
    Electronic Resource
    Structure, absolute configuration, and conformation of the antimalarial compound, Artemisinin (1998)
    Springer
    Journal of chemical crystallography 28 (1998), S. 539-543 
    Details
    ISSN: 1572-8854
    Keywords: Antimalarial ; crystal structure ; peroxy bridge
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of the antimalarial compound Artemisinin (formerly known as Qinghaosu), C15H22O5 has been determined by direct methods. Crystals are orthorhombic colorless needles, space group P212121, Z = 4. D c = 1.299 g cm −3, with unit cell parameters a = 6.3543(9), b = 9.439(3), c= 24.066(4) Å. The molecule incorporates a fused ring system containing a six-membered ring C which includes an oxygen bridge and a peroxy-bridge. The ring C has a distorted boat conformation and the C - O - O - C torsion angle is 47.8(2)°. Rings A and D have symmetrical chair and distorted chair conformations, repectively. Ring junctions A/B, A/D, and C/D are cis, junction B/D is trans. All inter-molecular contacts are van der Waals. The absolute configuration of Artemisinin was determined from the refined value of the Flack x parameter. [The atomic coordinates given in a previous structure analysis, “Crystal Structure and Absolute Configuration of Qinghaosu,” Qinghaosu Research Group, Institute of Biophysics, Academica Sinica, Scientia Sinica, Vol. XXIII No. 3, 380 (1980), do not display the molecule in its absolute configuration.]
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1023244122450
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  • 3
    Electronic Resource
    Electronic Resource
    Crystal structure of 20ζ-hydroxy-3β-pyrrolidino-5-pregnene-16α-carbonitrile (HS1175): A novel design for neuromuscular blocking drugs (1994)
    Springer
    Journal of chemical crystallography 24 (1994), S. 231-234 
    Details
    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structure of the title compound C26H38N2OH has been determined by direct methods from diffractometer data and refined by full-matrix least-squares. Crystals are monoclinicP21,a=6.237(1),b=10.295(2),c=18.485(2) Å, β=98.76(1)o,Z=2,D c=1.12 g cm−3,R=0.055 for 1059 observed reflections. The structure has two N-containing functional groups, one each in the pyrrolidine ring and carbonitrile groups, with interatomic separation of 11.527 Å. The 16-carbonitrile group is α-oriented. All steroid rings are trans-connected, A and C being in chair conformations and B and D half-charis. N(23) in the carbonitrile side-chair forms a weak tail-tail hydrogen-bond network by linking with the neighboring OH(20) hydroxy group at 1−x, 1/2+y, 1−z.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01672415
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  • 4
    Electronic Resource
    Electronic Resource
    X-ray structural and potential energy studies on zentropil (5,5-diphenyl-2,4-imidazolidine dione) (1993)
    Springer
    Journal of chemical crystallography 23 (1993), S. 149-152 
    Details
    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structure of the title compound has been determined by direct methods from diffractometer data and refined by full-matrix least squares. Crystals are orthorhombicPn21 a,a=6.228(1),b=13.568(1),c=15.520(2)Å,Z=4,D x =1.34 g cm−3,R=0.072 for 1,152 observed reflections. The plane of the imidazolidinedione ring forms angles of 113.9° and 114.1° with the planes through the two phenyl rings. The phenyl-phenyl angle is 89.1°. Intermolecular hydrogen-bonding occurs between the oxygen and nitrogen atoms of the imidazolidinedione moiety.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01195449
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