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  • 1
    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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  • 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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    Paper (German National Licenses)
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