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3-(2-Hydroxyethyl)-3-methyl-1-(4-methylbenzoyl)thiourea

The title thio­urea derivative, C12H16N2O2S, has a twisted conformation with the dihedral angle between the NC(=S)N and O=CC6 planes being 35.45 (5)°. The observed conformation allows for an intra­molecular N-H...O hydrogen bond. In the mol­ecular packing, supra­molecular aggregation is based on hy­...

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Main Authors: Nazzatush Shimar Jamaludin,, Siti Nadiah Abdul Halim,, Tiekink, Edward R. T. *
Format: Article
Language:English
Published: International Union of Crystallography 2016
Subjects:
QD Chemistry
Online Access:http://eprints.sunway.edu.my/663/1/IUCrData%202016%201%20x152457.pdf
http://eprints.sunway.edu.my/663/
http://dx.doi.org/10.1107/S2414314615024578
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spelling my.sunway.eprints.6632020-10-07T09:54:50Z http://eprints.sunway.edu.my/663/ 3-(2-Hydroxyethyl)-3-methyl-1-(4-methylbenzoyl)thiourea Nazzatush Shimar Jamaludin, Siti Nadiah Abdul Halim, Tiekink, Edward R. T. * QD Chemistry The title thio­urea derivative, C12H16N2O2S, has a twisted conformation with the dihedral angle between the NC(=S)N and O=CC6 planes being 35.45 (5)°. The observed conformation allows for an intra­molecular N-H...O hydrogen bond. In the mol­ecular packing, supra­molecular aggregation is based on hy­droxy-O-H...O(carbon­yl) hydrogen bonding and leads to supra­molecular helical chains along the a axis; chains are reinforced by N-methyl­ene-C-H...S and N-methyl-C-H...[pi](arene) inter­actions. Supra­molecular layers in the ab plane are formed as a result of tolyl-methyl-C-H...[pi](arene) inter­actions. International Union of Crystallography 2016 Article PeerReviewed text en cc_by_nc_nd http://eprints.sunway.edu.my/663/1/IUCrData%202016%201%20x152457.pdf Nazzatush Shimar Jamaludin, and Siti Nadiah Abdul Halim, and Tiekink, Edward R. T. * (2016) 3-(2-Hydroxyethyl)-3-methyl-1-(4-methylbenzoyl)thiourea. IUCrData, 1 (1). x152457. ISSN 2414-3146 http://dx.doi.org/10.1107/S2414314615024578 doi:10.1107/S2414314615024578
institution Sunway University
building Sunway Campus Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Sunway University
content_source Sunway Institutional Repository
url_provider http://eprints.sunway.edu.my/
language English
topic QD Chemistry
spellingShingle QD Chemistry
Nazzatush Shimar Jamaludin,
Siti Nadiah Abdul Halim,
Tiekink, Edward R. T. *
3-(2-Hydroxyethyl)-3-methyl-1-(4-methylbenzoyl)thiourea
description The title thio­urea derivative, C12H16N2O2S, has a twisted conformation with the dihedral angle between the NC(=S)N and O=CC6 planes being 35.45 (5)°. The observed conformation allows for an intra­molecular N-H...O hydrogen bond. In the mol­ecular packing, supra­molecular aggregation is based on hy­droxy-O-H...O(carbon­yl) hydrogen bonding and leads to supra­molecular helical chains along the a axis; chains are reinforced by N-methyl­ene-C-H...S and N-methyl-C-H...[pi](arene) inter­actions. Supra­molecular layers in the ab plane are formed as a result of tolyl-methyl-C-H...[pi](arene) inter­actions.
format Article
author Nazzatush Shimar Jamaludin,
Siti Nadiah Abdul Halim,
Tiekink, Edward R. T. *
author_facet Nazzatush Shimar Jamaludin,
Siti Nadiah Abdul Halim,
Tiekink, Edward R. T. *
author_sort Nazzatush Shimar Jamaludin,
title 3-(2-Hydroxyethyl)-3-methyl-1-(4-methylbenzoyl)thiourea
title_short 3-(2-Hydroxyethyl)-3-methyl-1-(4-methylbenzoyl)thiourea
title_full 3-(2-Hydroxyethyl)-3-methyl-1-(4-methylbenzoyl)thiourea
title_fullStr 3-(2-Hydroxyethyl)-3-methyl-1-(4-methylbenzoyl)thiourea
title_full_unstemmed 3-(2-Hydroxyethyl)-3-methyl-1-(4-methylbenzoyl)thiourea
title_sort 3-(2-hydroxyethyl)-3-methyl-1-(4-methylbenzoyl)thiourea
publisher International Union of Crystallography
publishDate 2016
url http://eprints.sunway.edu.my/663/1/IUCrData%202016%201%20x152457.pdf
http://eprints.sunway.edu.my/663/
http://dx.doi.org/10.1107/S2414314615024578
_version_ 1680323391878332416
score 13.211869

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