TY - JOUR
T1 - Structure of 17β-hydroxy-1,4-androstadien-3-one monohydrate C19H26O2·H2O
AU - Gałdecki, Zdzisław
AU - Grochulski, Paweł
AU - Wawrzak, Zdzisław
AU - Szyczewski, Andrzej
PY - 1989/12/1
Y1 - 1989/12/1
N2 - The structure of the title compound, C19H26O2·H2O, was determined by X-rays. Mr=304.4, space group P21, a=10.3113(6), b=10.3978(21), c=7.8710(9) Å, γ=89.527(9)°, Vc=844(1) Å3, Z=2, Dx=1.194 Mg m-3. Cu Kα radiation {Mathematical expression}, μ(Cu Kα)=5.9 cm-, F(000)=332. Final R factor=0.046 (Rw=0.047) for 1002 unique reflections. The structure was solved using Multan. The water molecule is the hydrogen donor to O(3) and a hydrogen acceptor from the O(17) hydroxyl group. Ring A is rather flat relative to the rest of the steroid backbone and the O(3)-plane distance is 1.99 Å.
AB - The structure of the title compound, C19H26O2·H2O, was determined by X-rays. Mr=304.4, space group P21, a=10.3113(6), b=10.3978(21), c=7.8710(9) Å, γ=89.527(9)°, Vc=844(1) Å3, Z=2, Dx=1.194 Mg m-3. Cu Kα radiation {Mathematical expression}, μ(Cu Kα)=5.9 cm-, F(000)=332. Final R factor=0.046 (Rw=0.047) for 1002 unique reflections. The structure was solved using Multan. The water molecule is the hydrogen donor to O(3) and a hydrogen acceptor from the O(17) hydroxyl group. Ring A is rather flat relative to the rest of the steroid backbone and the O(3)-plane distance is 1.99 Å.
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U2 - 10.1007/BF01160875
DO - 10.1007/BF01160875
M3 - Article
AN - SCOPUS:34249969818
SN - 0277-8068
VL - 19
SP - 933
EP - 939
JO - Journal of Crystallographic and Spectroscopic Research
JF - Journal of Crystallographic and Spectroscopic Research
IS - 6
ER -