Structure of 18-cyanoprogesterone, C22H29O2N

Paweł Grochulski; Zdzisław Wawrzak; Zdzisław Gałdecki; Antoinette Viger; Suzy Coustal

doi:10.1007/BF01180109

Structure of 18-cyanoprogesterone, C₂₂H₂₉O₂N

Paweł Grochulski^*, Zdzisław Wawrzak, Zdzisław Gałdecki, Antoinette Viger, Suzy Coustal

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

Abstract

The crystal structure of 18-cyanoprogesterone was determined by X-ray diffraction methods:P2₁2₁2₁a=7.436(2), b=11.322(2), c=22.642(2) Å. The structure was solved using Shelx-86. Final conventional R=0.054. R_w=0.051 for 1841 reflections. The A ring has an intermediate sofa-half-chair conformation with asymmetry parameters ΔC_s^/1=11.0, ΔC₂^3,4=14.9. The steroid skeleton exhibits a flattening of the A 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)°.

Original language	English (US)
Pages (from-to)	429-432
Number of pages	4
Journal	Journal of Crystallographic and Spectroscopic Research
Volume	20
Issue number	5
DOIs	https://doi.org/10.1007/BF01180109
State	Published - Oct 1990

ASJC Scopus subject areas

Structural Biology
Condensed Matter Physics
Spectroscopy

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title = "Structure of 18-cyanoprogesterone, C22H29O2N",

abstract = "The crystal structure of 18-cyanoprogesterone was determined by X-ray diffraction methods:P212121a=7.436(2), b=11.322(2), c=22.642(2) {\AA}. The structure was solved using Shelx-86. Final conventional R=0.054. Rw=0.051 for 1841 reflections. The A ring has an intermediate sofa-half-chair conformation with asymmetry parameters ΔCs/1=11.0, ΔC23,4=14.9. The steroid skeleton exhibits a flattening of the A 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)°.",

author = "Pawe{\l} Grochulski and Zdzis{\l}aw Wawrzak and Zdzis{\l}aw Ga{\l}decki and Antoinette Viger and Suzy Coustal",

year = "1990",

month = oct,

doi = "10.1007/BF01180109",

language = "English (US)",

volume = "20",

pages = "429--432",

journal = "Journal of Crystallographic and Spectroscopic Research",

issn = "0277-8068",

publisher = "Springer New York",

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TY - JOUR

T1 - Structure of 18-cyanoprogesterone, C22H29O2N

AU - Grochulski, Paweł

AU - Wawrzak, Zdzisław

AU - Gałdecki, Zdzisław

AU - Viger, Antoinette

AU - Coustal, Suzy

PY - 1990/10

Y1 - 1990/10

N2 - The crystal structure of 18-cyanoprogesterone was determined by X-ray diffraction methods:P212121a=7.436(2), b=11.322(2), c=22.642(2) Å. The structure was solved using Shelx-86. Final conventional R=0.054. Rw=0.051 for 1841 reflections. The A ring has an intermediate sofa-half-chair conformation with asymmetry parameters ΔCs/1=11.0, ΔC23,4=14.9. The steroid skeleton exhibits a flattening of the A 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)°.

AB - The crystal structure of 18-cyanoprogesterone was determined by X-ray diffraction methods:P212121a=7.436(2), b=11.322(2), c=22.642(2) Å. The structure was solved using Shelx-86. Final conventional R=0.054. Rw=0.051 for 1841 reflections. The A ring has an intermediate sofa-half-chair conformation with asymmetry parameters ΔCs/1=11.0, ΔC23,4=14.9. The steroid skeleton exhibits a flattening of the A 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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M3 - Article

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JO - Journal of Crystallographic and Spectroscopic Research

JF - Journal of Crystallographic and Spectroscopic Research

IS - 5

ER -

Structure of 18-cyanoprogesterone, C₂₂H₂₉O₂N

Abstract

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