Details der Publikation - X-Ray Crystal Structure of Betulin

X-Ray Crystal Structure of Betulin–DMSO Solvate

Abstract Betulin is a lupane triterpenoid [lup-20(29)-ene-3β,28-diol, $ C_{30} $$ H_{50} $$ O_{2} $] showing high biological activity. This activity is supposed to be strongly affected by the molecular structure of its polymorphic forms. Different solvate polymorphic forms of betulin have aroused increasing interest as the possible anticancer agents of natural origin. X-ray diffraction was used to investigate crystal structure of (1:1) betulin–DMSO solvate. Title compound crystallizes in the orthorhombic P$ 2_{1} $$ 2_{1} $$ 2_{1} $ space group. Unit cell parameters are as follows: a = 7.0006(2) Å, b = 12.1623(3) Å, c = 33.6991(8) Å, Z = 4. Crystal packing and selected geometric parameters are described. It has been found that the hydrogen bonding and the dipole–dipole interaction between DMSO molecules play the major role in the formation of the crystal structure. Graphical Abstract Hydrogen bonding and the dipole–dipole interaction play the major role in the formation of the betulin–DMSO solvate crystal structure..

Medienart:	E-Artikel

Erscheinungsjahr:	2011
Erschienen:	2011

Enthalten in:	Zur Gesamtaufnahme - volume:42
Enthalten in:	Journal of chemical crystallography - 42(2011), 4 vom: 21. Dez., Seite 345-351

Sprache:	Englisch

Beteiligte Personen:	Boryczka, Stanisław [VerfasserIn] Michalik, Ewa [VerfasserIn] Jastrzebska, Maria [VerfasserIn] Kusz, Joachim [VerfasserIn] Zubko, Maciej [VerfasserIn] Bębenek, Ewa [VerfasserIn]

Links:	Volltext [lizenzpflichtig]

BKL:	35.25$jSpektrochemische Analyse 35.90$jFestkörperchemie 38.31$jKristallographie 51.00$jWerkstoffkunde: Allgemeines
Themen:	Betulin DMSO Hydrogen bonds Polymorphism X-ray crystal structure

Anmerkungen:	© Springer Science+Business Media, LLC 2011

doi:	10.1007/s10870-011-0251-z

funding:
Förderinstitution / Projekttitel:

PPN (Katalog-ID):	OLC2115405641

Internformat


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520			\|a Abstract Betulin is a lupane triterpenoid [lup-20(29)-ene-3β,28-diol, $ C_{30} $$ H_{50} $$ O_{2} $] showing high biological activity. This activity is supposed to be strongly affected by the molecular structure of its polymorphic forms. Different solvate polymorphic forms of betulin have aroused increasing interest as the possible anticancer agents of natural origin. X-ray diffraction was used to investigate crystal structure of (1:1) betulin–DMSO solvate. Title compound crystallizes in the orthorhombic P$ 2_{1} $$ 2_{1} $$ 2_{1} $ space group. Unit cell parameters are as follows: a = 7.0006(2) Å, b = 12.1623(3) Å, c = 33.6991(8) Å, Z = 4. Crystal packing and selected geometric parameters are described. It has been found that the hydrogen bonding and the dipole–dipole interaction between DMSO molecules play the major role in the formation of the crystal structure. Graphical Abstract Hydrogen bonding and the dipole–dipole interaction play the major role in the formation of the betulin–DMSO solvate crystal structure.
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X-Ray Crystal Structure of Betulin–DMSO Solvate

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