Structure of 18-cyanoprogesterone,C22H29O2N |
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| Authors: | Pawe? Grochulski Zdzis?aw Wawrzak Zdzis?aw Ga?decki Antoinette Viger Suzy Coustal |
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| Institution: | (1) Institute of Physics, Technical University of  ód , ul, Wólcza ska 219, 93-005 ód, Poland;(2) Institute of General Chemistry, Technical University of ód, ul. Zwirki 36, 90-924 ód, Poland;(3) Laboratoire de Chimie Organique Biologique UA CNRS 493, Université Pierre et Marie Curie, Tour 44-45-4. Place Jussieu, 75252 Paris Cedex 05, France |
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| Abstract: | The crystal structure of 18-cyanoprogesterone was determined by X-ray diffraction methods:P212121
a=7.436(2),b=11.322(2),c=22.642(2) Å. The structure was solved usingShelx-86. Final conventionalR=0.054.R
w
=0.051 for 1841 reflections. TheA ring has an intermediate sofa-half-chair conformation with asymmetry parameters  C
s
/1
=11.0, C
2
3,4
=14.9. The steroid skeleton exhibits a flattening of theA ring relative to the rest of the molecule. The progesterone side chain has a typical conformation, and the C16-C17-C20-O20 torsion angle is –19.0(6)°. |
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