In the title compound, C 25 H 29 NO 2 , ring A adopts a slightly distorted half-chair conformation, while rings B and C are in chair conformations. The ®ve-membered ring D adopts a 13,14-half-chair conformation. The 3-pyridyl ring has an E con®guration with respect to the carbonyl group at position
16-(2-Pyridylmethylene)androst-4-ene-3,17-dione
✍ Scribed by Vasuki, G. ;Thamotharan, S. ;Parthasarathi, V. ;Ramamurthi, K. ;Dubey, S. ;Jindal, D. P.
- Publisher
- International Union of Crystallography
- Year
- 2002
- Tongue
- English
- Weight
- 225 KB
- Volume
- 58
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
In the title compound, C 29 H 37 NO 4 Á0.46H 2 O, rings A and C adopt chair conformations and ring B is in a half-chair conformation. The ®ve-membered ring D adopts an envelope conformation. The crystal structure is stabilized by weak intermolecular CÐHÁ Á ÁO interactions and van der Waals forces.
Single-crystal X-ray study T = 100 K Mean (C-C) = 0.002 A R factor = 0.061 wR factor = 0.165 Data-to-parameter ratio = 14.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The orientations of NH 2 and CH 3 of the title compound, C 6 H 9 NO 2 , are mainly stabilized by N-HÁ Á ÁO and C-HÁ Á ÁO intramolecular hydrogen bonds, as well as intermolecular N-HÁ Á ÁO and C-HÁ Á ÁO hydrogen bonds.