3-tert-Butyl-1H-isochromene-1-thione
The title compound, C13H14OS, crystallizes with two independent molecules in the asymmetric unit. The unit cell contains three voids of 197 Å3, but the residual electron density (highest peak = 0.24 e Å−3 and deepest h...
| 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?S1600536810019422 |
| _version_ | 1819280187955609600 |
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| author | F. Nawaz Khan P. Manivel S. Mohana Roopan Venkatesha R. Hathwar Mehmet Akkurt |
| author_facet | F. Nawaz Khan P. Manivel S. Mohana Roopan Venkatesha R. Hathwar Mehmet Akkurt |
| author_sort | F. Nawaz Khan |
| collection | DOAJ |
| description | The title compound, C13H14OS, crystallizes with two independent molecules in the asymmetric unit. The unit cell contains three voids of 197 Å3, but the residual electron density (highest peak = 0.24 e Å−3 and deepest hole = −0.18 e Å−3) in the difference Fourier map suggests no solvent molecule occupies this void. The crystal structure is stabilized by π–π interactions between the isocoumarin ring systems, with centroid–centroid distances of 3.6793 (14) and 3.6566 (15) Å. |
| first_indexed | 2024-12-24T00:39:49Z |
| format | Article |
| id | doaj.art-c8f8fd3fd8ce402a97b51cb4748ec312 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-24T00:39:49Z |
| publishDate | 2010-06-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-c8f8fd3fd8ce402a97b51cb4748ec3122022-12-21T17:24:00ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-06-01666o1470o147010.1107/S16005368100194223-tert-Butyl-1H-isochromene-1-thioneF. Nawaz KhanP. ManivelS. Mohana RoopanVenkatesha R. HathwarMehmet AkkurtThe title compound, C13H14OS, crystallizes with two independent molecules in the asymmetric unit. The unit cell contains three voids of 197 Å3, but the residual electron density (highest peak = 0.24 e Å−3 and deepest hole = −0.18 e Å−3) in the difference Fourier map suggests no solvent molecule occupies this void. The crystal structure is stabilized by π–π interactions between the isocoumarin ring systems, with centroid–centroid distances of 3.6793 (14) and 3.6566 (15) Å.http://scripts.iucr.org/cgi-bin/paper?S1600536810019422 |
| spellingShingle | F. Nawaz Khan P. Manivel S. Mohana Roopan Venkatesha R. Hathwar Mehmet Akkurt 3-tert-Butyl-1H-isochromene-1-thione Acta Crystallographica Section E |
| title | 3-tert-Butyl-1H-isochromene-1-thione |
| title_full | 3-tert-Butyl-1H-isochromene-1-thione |
| title_fullStr | 3-tert-Butyl-1H-isochromene-1-thione |
| title_full_unstemmed | 3-tert-Butyl-1H-isochromene-1-thione |
| title_short | 3-tert-Butyl-1H-isochromene-1-thione |
| title_sort | 3 tert butyl 1h isochromene 1 thione |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536810019422 |
| work_keys_str_mv | AT fnawazkhan 3tertbutyl1hisochromene1thione AT pmanivel 3tertbutyl1hisochromene1thione AT smohanaroopan 3tertbutyl1hisochromene1thione AT venkatesharhathwar 3tertbutyl1hisochromene1thione AT mehmetakkurt 3tertbutyl1hisochromene1thione |