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

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

In the molecule of the title compound, C16H11FOS, 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...

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Format: Article
Language:English
Published: International Union of Crystallography 2009-03-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536809004152
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spelling doaj-dfc16e91066c4b0eae240f4699d12eb02020-11-25T01:33:27ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682009-03-01653o500o50010.1107/S16005368090041523-(4-Fluorobenzyl)-1H-isochromene-1-thioneIn the molecule of the title compound, C16H11FOS, 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. http://scripts.iucr.org/cgi-bin/paper?S1600536809004152
collection DOAJ
language English
format Article
sources DOAJ
title 3-(4-Fluorobenzyl)-1H-isochromene-1-thione
spellingShingle 3-(4-Fluorobenzyl)-1H-isochromene-1-thione
Acta Crystallographica Section E
title_short 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_sort 3-(4-fluorobenzyl)-1h-isochromene-1-thione
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2009-03-01
description In the molecule of the title compound, C16H11FOS, 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.
url http://scripts.iucr.org/cgi-bin/paper?S1600536809004152
_version_ 1725077066820354048

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