Acta Crystallographica Section C

Crystal Structure Communications

Volume 60, Part 1 (January 2004)

Acta Cryst. (2004). C60, o75-o78 [doi:10.1107/S0108270103025605]

Two androst-5-ene derivatives: 16-[4-(3-chloropropoxy)-3-methoxybenzylidene]-17-oxoandrost-5-en-3-ol and 16-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)benzylidene]-3-pyrrolidinoandrost-5-en-17-ol monohydrate

S. Thamotharan, V. Parthasarathi, R. Gupta, S. Guleria, D. P. Jindal and A. Linden

Abstract: In the steroidal nucleus of 16-[4-(3-chloropropoxy)-3-methoxybenzylidene]-17-oxoandrost-5-en-3 [beta] -ol, C₃₀H₂₉ClO₄, (I), the outer two six-membered rings are in chair conformations, while the five-membered ring and the central six-membered ring of the steroidal nucleus adopt half-chair and envelope conformations, respectively. In 16-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)benzylidene]-3 [beta] -pyrrolidinoandrost-5-en-17 [beta] -ol monohydrate, C₃₇H₅₄N₂O₃·H₂O, (II), one C atom of one of the outer six-membered rings of the steroid nucleus and the four C atoms of the ethoxypyrrolidine ring are disordered over two sites. The five-membered ring, and the central and one of the outer six-membered rings of the steroidal nucleus exhibit distorted half-chair, chair and envelope conformations, respectively. In (I), intermolecular O-HO hydrogen bonds link the molecules into chains via a co-operative O-HO-HO-H pattern. In (II), intermolecular O-HO and O-HN hydrogen bonds link the steroid and water molecules alternately into extended chains.

Formula: C₃₀H₃₉ClO₄ and C₃₇H₅₄N₂O₃·H₂O

Online 13 December 2003


	Structure factor file (CIF format) (287.3 kbytes) Contains datablock I

	Structure factor file (CIF format) (158.5 kbytes) Contains datablock II

Notes:

To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.