(1S,3R,8R,9R,10S)-2,2-Dibromo-3,7,7,10-tetramethyl-9β,10β-epoxy-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodecane
The title compound, C16H24Br2O, was synthesized from β-himachalene (3,5,5,9-tetramethyl-2,4a,5,6,7,8-hexahydro-1H-benzocycloheptene), which was isolated from the essential oil of the Atlas cedar (Cedrus atlantica). The molecule contains fused six- and seven-membered rings, each linked to a...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2013-04-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536813006077 |
| _version_ | 1818321418750787584 |
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| author | Abdelouahd Oukhrib Ahmed Benharref Mohamed Saadi Moha Berraho Lahcen El Ammari |
| author_facet | Abdelouahd Oukhrib Ahmed Benharref Mohamed Saadi Moha Berraho Lahcen El Ammari |
| author_sort | Abdelouahd Oukhrib |
| collection | DOAJ |
| description | The title compound, C16H24Br2O, was synthesized from β-himachalene (3,5,5,9-tetramethyl-2,4a,5,6,7,8-hexahydro-1H-benzocycloheptene), which was isolated from the essential oil of the Atlas cedar (Cedrus atlantica). The molecule contains fused six- and seven-membered rings, each linked to a three-membered ring. The six-membered ring has a half-chair conformation, while the seven-membered ring displays a chair conformation. The dihedral angle between the mean planes through the six- and seven-membered rings is 39.55 (12)°. The two three-membered rings, linked to the six- and seven-membered rings, are nearly perpendicular to the six-membered ring, making dihedral angles of 78.6 (2) and 80.5 (2)°, respectively. The absolute structure was established unambiguously from anomalous dispersion effects. In the crystal, each molecule is linked to its symmetry-equivalent partner by C—H...O hydrogen bonds, forming zigzag chains parallel to [100]. |
| first_indexed | 2024-12-13T10:40:36Z |
| format | Article |
| id | doaj.art-93f5c969fe21429e9100d8cd4a0b000f |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-13T10:40:36Z |
| publishDate | 2013-04-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-93f5c969fe21429e9100d8cd4a0b000f2022-12-21T23:50:33ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682013-04-01694o521o52210.1107/S1600536813006077(1S,3R,8R,9R,10S)-2,2-Dibromo-3,7,7,10-tetramethyl-9β,10β-epoxy-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodecaneAbdelouahd OukhribAhmed BenharrefMohamed SaadiMoha BerrahoLahcen El AmmariThe title compound, C16H24Br2O, was synthesized from β-himachalene (3,5,5,9-tetramethyl-2,4a,5,6,7,8-hexahydro-1H-benzocycloheptene), which was isolated from the essential oil of the Atlas cedar (Cedrus atlantica). The molecule contains fused six- and seven-membered rings, each linked to a three-membered ring. The six-membered ring has a half-chair conformation, while the seven-membered ring displays a chair conformation. The dihedral angle between the mean planes through the six- and seven-membered rings is 39.55 (12)°. The two three-membered rings, linked to the six- and seven-membered rings, are nearly perpendicular to the six-membered ring, making dihedral angles of 78.6 (2) and 80.5 (2)°, respectively. The absolute structure was established unambiguously from anomalous dispersion effects. In the crystal, each molecule is linked to its symmetry-equivalent partner by C—H...O hydrogen bonds, forming zigzag chains parallel to [100].http://scripts.iucr.org/cgi-bin/paper?S1600536813006077 |
| spellingShingle | Abdelouahd Oukhrib Ahmed Benharref Mohamed Saadi Moha Berraho Lahcen El Ammari (1S,3R,8R,9R,10S)-2,2-Dibromo-3,7,7,10-tetramethyl-9β,10β-epoxy-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodecane Acta Crystallographica Section E |
| title | (1S,3R,8R,9R,10S)-2,2-Dibromo-3,7,7,10-tetramethyl-9β,10β-epoxy-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodecane |
| title_full | (1S,3R,8R,9R,10S)-2,2-Dibromo-3,7,7,10-tetramethyl-9β,10β-epoxy-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodecane |
| title_fullStr | (1S,3R,8R,9R,10S)-2,2-Dibromo-3,7,7,10-tetramethyl-9β,10β-epoxy-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodecane |
| title_full_unstemmed | (1S,3R,8R,9R,10S)-2,2-Dibromo-3,7,7,10-tetramethyl-9β,10β-epoxy-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodecane |
| title_short | (1S,3R,8R,9R,10S)-2,2-Dibromo-3,7,7,10-tetramethyl-9β,10β-epoxy-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodecane |
| title_sort | 1s 3r 8r 9r 10s 2 2 dibromo 3 7 7 10 tetramethyl 9 946 10 946 epoxy 3 7 7 10 tetramethyltricyclo 6 4 0 01 3 dodecane |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536813006077 |
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