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  • 1
    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
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  • 2
    ISSN: 1572-8854
    Keywords: Folk Medicine ; Limonoid ; Antimalarial ; Immunomodulator
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of the natural product C29H38O9, an extract from a Cameroonian plant, has been determined by direct methods. Crystals are orthorhombic, P212121,a=24.571(4),b=16.398(3),c=13.778(4) Å,Z-8,D c=1.270 mg/m3. The final R-factor for 2892 reflections withI〉2σ(I) is 0.0531. The two molecules forming the asymmetric unit have very similar molecular geometry. each molecule comprising a nucleus of six fused rings B to G: where B=pyranyl, C=pyranyl, D=furanyl, E=cyclohexene, F=pyranyl, G=cyclohexyl. Ring B also has a furanyl side-group (ring A). The ring conformations in both molecules are: A (1/2-chair/envelope); B(envelope); C(envelope); D(1/2-chair); E(1/2-chair); F(envelope); G(chair). In the cyclohexene ring E the substitution pattern is 2-hydroxy 3-methyl 5-dimethyl. The two molecules in the asymmetric unit are linked by two OH...O hydrogen bonds to form the crystal structure.
    Type of Medium: Electronic Resource
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