3-(4-Fluoro-benz-yl)-1H-isochromene-1-thione

Tariq Mahmood Babar; Ghulam Qadeer; Nasim Hasan Rama; Muhammad Khawar Rauf; Wai Yeung Wong

doi:10.1107/S1600536809004152

3-(4-Fluoro-benz-yl)-1H-isochromene-1-thione

Tariq Mahmood Babar
, Ghulam Qadeer
, Nasim Hasan Rama
, Muhammad Khawar Rauf
, Wai Yeung Wong

Research output: Journal article publication › Journal article › Academic research › peer-review

Abstract

In the mol-ecule 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 intra-molecular C - H⋯S inter-action results in the formation of a planar five-membered ring. In the crystal structure, inter-molecular C - H⋯O hydrogen bonds link the mol-ecules 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.

Original language	English
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	65
Issue number	3
DOIs	https://doi.org/10.1107/S1600536809004152
Publication status	Published - 18 Mar 2009
Externally published	Yes

ASJC Scopus subject areas

General Chemistry
General Materials Science
Condensed Matter Physics

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10.1107/S1600536809004152

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@article{f797b0b29d374ffab0782f30914c5aa0,

title = "3-(4-Fluoro-benz-yl)-1H-isochromene-1-thione",

abstract = "In the mol-ecule 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) {\AA}] isocoumarin ring system. An intra-molecular C - H⋯S inter-action results in the formation of a planar five-membered ring. In the crystal structure, inter-molecular C - H⋯O hydrogen bonds link the mol-ecules into chains parallel to the c axis. A π-π contact between the isocoumarin rings [centroid-centroid distance = 3.818 (3) {\AA}] may further stabilize the structure.",

author = "Babar, \{Tariq Mahmood\} and Ghulam Qadeer and Rama, \{Nasim Hasan\} and \{Khawar Rauf\}, Muhammad and Wong, \{Wai Yeung\}",

year = "2009",

month = mar,

day = "18",

doi = "10.1107/S1600536809004152",

language = "English",

volume = "65",

journal = "Acta Crystallographica Section E: Structure Reports Online",

issn = "1600-5368",

publisher = "International Union of Crystallography",

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T1 - 3-(4-Fluoro-benz-yl)-1H-isochromene-1-thione

AU - Babar, Tariq Mahmood

AU - Qadeer, Ghulam

AU - Rama, Nasim Hasan

AU - Khawar Rauf, Muhammad

AU - Wong, Wai Yeung

PY - 2009/3/18

Y1 - 2009/3/18

N2 - In the mol-ecule 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 intra-molecular C - H⋯S inter-action results in the formation of a planar five-membered ring. In the crystal structure, inter-molecular C - H⋯O hydrogen bonds link the mol-ecules 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.

AB - In the mol-ecule 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 intra-molecular C - H⋯S inter-action results in the formation of a planar five-membered ring. In the crystal structure, inter-molecular C - H⋯O hydrogen bonds link the mol-ecules 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.

UR - https://www.scopus.com/pages/publications/62149117986

U2 - 10.1107/S1600536809004152

DO - 10.1107/S1600536809004152

M3 - Journal article

SN - 1600-5368

VL - 65

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 3

ER -

3-(4-Fluoro-benz-yl)-1H-isochromene-1-thione

Abstract

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