3-(4-Fluoro­benz­yl)-1H-isochromene-1-thione

In the mol­ecule of the title compound, C(16)H(11)FOS, the benzene ring is oriented at a dihedral angle of 89.68 (3)° with respect to the planar [maximum deviation 0.009 (2) Å] isocoumarin ring system. An intra­molecular C—H⋯S inter­action results in the formation of a planar five-membered ring. In...

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Autores principales: Babar, Tariq Mahmood, Qadeer, Ghulam, Rama, Nasim Hasan, Khawar Rauf, Muhammad, Wong, Wai-Yeung
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968631/
https://www.ncbi.nlm.nih.gov/pubmed/21582165
http://dx.doi.org/10.1107/S1600536809004152
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author Babar, Tariq Mahmood
Qadeer, Ghulam
Rama, Nasim Hasan
Khawar Rauf, Muhammad
Wong, Wai-Yeung
author_facet Babar, Tariq Mahmood
Qadeer, Ghulam
Rama, Nasim Hasan
Khawar Rauf, Muhammad
Wong, Wai-Yeung
author_sort Babar, Tariq Mahmood
collection PubMed
description In the mol­ecule of the title compound, C(16)H(11)FOS, the benzene ring is oriented at a dihedral angle of 89.68 (3)° with respect to the planar [maximum deviation 0.009 (2) Å] isocoumarin ring system. An intra­molecular C—H⋯S inter­action results in the formation of a planar five-membered ring. In the crystal structure, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into chains parallel to the c axis. A π–π contact between the isocoumarin rings [centroid–centroid distance = 3.818 (3) Å] may further stabilize the structure.
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spelling pubmed-29686312010-12-30 3-(4-Fluoro­benz­yl)-1H-isochromene-1-thione Babar, Tariq Mahmood Qadeer, Ghulam Rama, Nasim Hasan Khawar Rauf, Muhammad Wong, Wai-Yeung Acta Crystallogr Sect E Struct Rep Online Organic Papers In the mol­ecule of the title compound, C(16)H(11)FOS, the benzene ring is oriented at a dihedral angle of 89.68 (3)° with respect to the planar [maximum deviation 0.009 (2) Å] isocoumarin ring system. An intra­molecular C—H⋯S inter­action results in the formation of a planar five-membered ring. In the crystal structure, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into chains parallel to the c axis. A π–π contact between the isocoumarin rings [centroid–centroid distance = 3.818 (3) Å] may further stabilize the structure. International Union of Crystallography 2009-02-11 /pmc/articles/PMC2968631/ /pubmed/21582165 http://dx.doi.org/10.1107/S1600536809004152 Text en © Babar et al. 2009 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
Babar, Tariq Mahmood
Qadeer, Ghulam
Rama, Nasim Hasan
Khawar Rauf, Muhammad
Wong, Wai-Yeung
3-(4-Fluoro­benz­yl)-1H-isochromene-1-thione
title 3-(4-Fluoro­benz­yl)-1H-isochromene-1-thione
title_full 3-(4-Fluoro­benz­yl)-1H-isochromene-1-thione
title_fullStr 3-(4-Fluoro­benz­yl)-1H-isochromene-1-thione
title_full_unstemmed 3-(4-Fluoro­benz­yl)-1H-isochromene-1-thione
title_short 3-(4-Fluoro­benz­yl)-1H-isochromene-1-thione
title_sort 3-(4-fluoro­benz­yl)-1h-isochromene-1-thione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968631/
https://www.ncbi.nlm.nih.gov/pubmed/21582165
http://dx.doi.org/10.1107/S1600536809004152
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AT ramanasimhasan 34fluorobenzyl1hisochromene1thione
AT khawarraufmuhammad 34fluorobenzyl1hisochromene1thione
AT wongwaiyeung 34fluorobenzyl1hisochromene1thione

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