3-tert-Butyl-1H-isochromene-1-thione

The title compound, C(13)H(14)OS, crystallizes with two independent mol­ecules in the asymmetric unit. The unit cell contains three voids of 197 Å(3), 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 mo...

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Autores principales: Khan, F. Nawaz, Manivel, P., Roopan, S. Mohana, Hathwar, Venkatesha R., Akkurt, Mehmet
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979407/
https://www.ncbi.nlm.nih.gov/pubmed/21579538
http://dx.doi.org/10.1107/S1600536810019422
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author Khan, F. Nawaz
Manivel, P.
Roopan, S. Mohana
Hathwar, Venkatesha R.
Akkurt, Mehmet
author_facet Khan, F. Nawaz
Manivel, P.
Roopan, S. Mohana
Hathwar, Venkatesha R.
Akkurt, Mehmet
author_sort Khan, F. Nawaz
collection PubMed
description The title compound, C(13)H(14)OS, crystallizes with two independent mol­ecules in the asymmetric unit. The unit cell contains three voids of 197 Å(3), 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.
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spelling pubmed-29794072010-12-30 3-tert-Butyl-1H-isochromene-1-thione Khan, F. Nawaz Manivel, P. Roopan, S. Mohana Hathwar, Venkatesha R. Akkurt, Mehmet Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(13)H(14)OS, crystallizes with two independent mol­ecules in the asymmetric unit. The unit cell contains three voids of 197 Å(3), 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. International Union of Crystallography 2010-05-26 /pmc/articles/PMC2979407/ /pubmed/21579538 http://dx.doi.org/10.1107/S1600536810019422 Text en © Khan et al. 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Khan, F. Nawaz
Manivel, P.
Roopan, S. Mohana
Hathwar, Venkatesha R.
Akkurt, Mehmet
3-tert-Butyl-1H-isochromene-1-thione
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
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979407/
https://www.ncbi.nlm.nih.gov/pubmed/21579538
http://dx.doi.org/10.1107/S1600536810019422
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AT manivelp 3tertbutyl1hisochromene1thione
AT roopansmohana 3tertbutyl1hisochromene1thione
AT hathwarvenkateshar 3tertbutyl1hisochromene1thione
AT akkurtmehmet 3tertbutyl1hisochromene1thione

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