Redetermination of 5α-androstane-3,17-dione
The structure of the title compound, C19H28O2, has been redermined at 295 (2) K, with much improved precision. The structure and molecular packing of the title compound was first reported by Coiro et al. [Acta Cryst. (1973). B29, 1404–1409] by means of poten...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2010-06-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536810019720 |
| _version_ | 1818907610715258880 |
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| author | Jerry P. Jasinski Ray J. Butcher Q. N. M. Hakim Al-arique H. S. Yathirajan B. Narayana |
| author_facet | Jerry P. Jasinski Ray J. Butcher Q. N. M. Hakim Al-arique H. S. Yathirajan B. Narayana |
| author_sort | Jerry P. Jasinski |
| collection | DOAJ |
| description | The structure of the title compound, C19H28O2, has been redermined at 295 (2) K, with much improved precision. The structure and molecular packing of the title compound was first reported by Coiro et al. [Acta Cryst. (1973). B29, 1404–1409] by means of potential-energy calculations. The cell parameters in this study differ considerably in space group C2. It is a derivative of testosterone and consists of a cyclopentanone ring (A) fused to to successive cyclohexane (B and C) and cyclohexanone (D) rings. The three cyclohexanone rings are in slightly distorted boat configurations and the cyclopentanone ring is a distorted half-chair. The crystal packing is stabilized by weak intermolecular C—H...O interactions involving O atoms from each of the cyclohexanone and cyclopentanone rings and H atoms from each of their respective rings. |
| first_indexed | 2024-12-19T21:57:52Z |
| format | Article |
| id | doaj.art-67f89564e1194abc8072729480819efc |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-19T21:57:52Z |
| publishDate | 2010-06-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-67f89564e1194abc8072729480819efc2022-12-21T20:04:14ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-06-01666o1517o151810.1107/S1600536810019720Redetermination of 5α-androstane-3,17-dioneJerry P. JasinskiRay J. ButcherQ. N. M. Hakim Al-ariqueH. S. YathirajanB. NarayanaThe structure of the title compound, C19H28O2, has been redermined at 295 (2) K, with much improved precision. The structure and molecular packing of the title compound was first reported by Coiro et al. [Acta Cryst. (1973). B29, 1404–1409] by means of potential-energy calculations. The cell parameters in this study differ considerably in space group C2. It is a derivative of testosterone and consists of a cyclopentanone ring (A) fused to to successive cyclohexane (B and C) and cyclohexanone (D) rings. The three cyclohexanone rings are in slightly distorted boat configurations and the cyclopentanone ring is a distorted half-chair. The crystal packing is stabilized by weak intermolecular C—H...O interactions involving O atoms from each of the cyclohexanone and cyclopentanone rings and H atoms from each of their respective rings.http://scripts.iucr.org/cgi-bin/paper?S1600536810019720 |
| spellingShingle | Jerry P. Jasinski Ray J. Butcher Q. N. M. Hakim Al-arique H. S. Yathirajan B. Narayana Redetermination of 5α-androstane-3,17-dione Acta Crystallographica Section E |
| title | Redetermination of 5α-androstane-3,17-dione |
| title_full | Redetermination of 5α-androstane-3,17-dione |
| title_fullStr | Redetermination of 5α-androstane-3,17-dione |
| title_full_unstemmed | Redetermination of 5α-androstane-3,17-dione |
| title_short | Redetermination of 5α-androstane-3,17-dione |
| title_sort | redetermination of 5 amp 945 androstane 3 17 dione |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536810019720 |
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