Crystal structure of betulinic acid-DMSO solvate
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Stanislaw Boryczka
Abstract
The crystal structure of betulinic acid-DMSO (1:1) solvate has been determined. The betulinic acid, [3β-hydroxy-lup-20(29)-en-28-oic acid, C30H48O3] is considered as a promising natural agent for the clinical treatment for various types of cancer. Crystals of betulinic acid for X-ray structural analysis were grown from a DMSO-water (9:1, v/v) solution. Betulinic acid-DMSO (1:1) solvate crystallizes in the orthorhombic symmetry the P212121 space group, Z = 4. The unit cell parameters are as follows: cell lengths a = 6.9417(2) Å, b = 13.8559(5) Å, c = 31.6232(10) Å, V = 3041.63(17) Å3. Betulinic acid molecules are hydrogen bonded to DMSO molecules. The weak intermolecular hydrogen bonds and van der Waals interactions are present in the crystal structure. The crystal and molecular structures of betulinic acid-DMSO solvates are discussed with reference to betulin and betulinic acid derivatives.
© by Oldenbourg Wissenschaftsverlag, Sosnowiec, Germany
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Articles in the same Issue
- Reconstructions of electron density by the Maximum Entropy Method from X-ray powder diffraction data based on incomplete and complete crystal structure models: a case study of apatites with different intercalated metal atoms
- X-ray powder diffraction investigation of the faulted crystal structure of MnH2P3O10 · 2H2O
- Exit wave reconstruction from focal series of HRTEM images, single crystal XRD and total energy studies on SbxWO3+y (x ∼ 0.11)
- TPO transfer from a rhenium(V) complex onto a salicylaldoxime-bridged complex with [MnIII3O] core
- X-ray crystal structures of solvated bisimidazole derivatives including a half-way analogous lophine-type compound
- Supramolecular isomerism in coordination polymers sustained by hydrogen bonding: bis[Zn(S2CN(Me)CH2CH2OH)2](N,N‘-bis(pyridin-3-ylmethyl)thioxalamide)
- Structures of 1-(substituted-phenyl)-4-hydroxymethyl- and -4-fluoromethyl-1,2,3-triazoles
- Crystal structure of betulinic acid-DMSO solvate
