Crystal and molecular structure of 3B-acetoxy-21-(2-hydroxy-2methylopropoxy)-cholest-5-en-25-ol, the first "double side chain" choresterol analogue investigated by X-ray diffraction

• Autorzy: Gałdecka E. , Gałdecki Z. , Górkiewicz Z. , Kurek-Tyrlik A. , Makaev F. , Wicha J. , Calverley M.
• Języki publikacji: EN

Abstrakty

EN

The title steroid crystallizes in the monoclinic P21 space group with unit cell dimensions: a=11.745(2) A, b=10.564(2) A, c=12.979(3) A, b = 95.73(3)0. Its crystal and molecular structure was determined by X-ray diffraction methods. The A ring has a symmetrical chair conformation. The B ring has a half-chair conformation, with asymmetry parameter D5,62=0.60. The C ring has an intermediate sofa-half-chair conformation with asymmetry parameters: DC9s=2.30, DC11s=5.80, DC9,112=4.80, and DC8,92=5.60. The D ring adopts an envelope conformation with asymmetry parameter DC13s=10.70. The cholesterol side chain adopts a fully extended conformation with torsion angles -170.6(6)0, 167.9(6)0 , -171.9(6)0 , and 175.6(7)0 , i.e. it belongs to the most populated conformer A, and with the terminal C26 and C27 methyl groups in gauche, trans conformations.

Słowa kluczowe

EN

crystal structure; molecular structure; steroids; choresterol derivatives

• Wydawca: Polskie Towarzystwo Chemiczne
• Czasopismo: Polish Journal of Chemistry
• Rocznik: 1999
• Tom: vol. 73 nr 3
• Strony: 541--555

Twórcy

autor

Gałdecka E.

autor

Gałdecki Z.

autor

Górkiewicz Z.

autor

Kurek-Tyrlik A.

autor

Makaev F.

autor

Wicha J.

autor

Calverley M.

• Instytut Wysokich Tempretur i Badań Strukturalnych PAN ul. Okolna 2 50-950 Wrocław