N-[ethyl(2-hydroxyethyl)carbamothioyl]-2-methylbenzamide

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1 Citation (Scopus)

Abstract

The title compound, C13H18N2O 2S, adopts a cis conformation between the methylbenzoyl and thiono groups across their thiourea C - N bond. However, the methylbenzoyl group and N2CS thiourea moiety are twisted by 15.03(3)°. In the molecule there is an N - H⋯O hydrogen bond. In the crystal, molecules are linked by O - H⋯O interactions, generating chains extending along the c-axis direction.

Original languageEnglish
JournalActa Crystallographica Section E: Structure Reports Online
Volume70
Issue number5
DOIs
Publication statusPublished - 2014

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Thiourea
Thioureas
thioureas
Molecules
Conformations
molecules
Hydrogen bonds
hydrogen bonds
Crystals
crystals
interactions
Direction compound

Keywords

  • data-to-parameter ratio = 15.3
  • mean σ(C-C) = 0.003 A°
  • R factor = 0.036
  • single-crystal X-ray study
  • T = 296 K
  • wR factor = 0.088

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Materials Science(all)
  • Chemistry(all)

Cite this

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title = "N-[ethyl(2-hydroxyethyl)carbamothioyl]-2-methylbenzamide",
abstract = "The title compound, C13H18N2O 2S, adopts a cis conformation between the methylbenzoyl and thiono groups across their thiourea C - N bond. However, the methylbenzoyl group and N2CS thiourea moiety are twisted by 15.03(3)°. In the molecule there is an N - H⋯O hydrogen bond. In the crystal, molecules are linked by O - H⋯O interactions, generating chains extending along the c-axis direction.",
keywords = "data-to-parameter ratio = 15.3, mean σ(C-C) = 0.003 A°, R factor = 0.036, single-crystal X-ray study, T = 296 K, wR factor = 0.088",
author = "{Mohd. Yamin}, Bohari and Hizam, {Sara Maira M} and {Mohd Yusoff}, {Siti Fairus} and Hasbullah, {Siti Aishah}",
year = "2014",
doi = "10.1107/S1600536814008952",
language = "English",
volume = "70",
journal = "Acta Crystallographica Section E: Structure Reports Online",
issn = "1600-5368",
publisher = "International Union of Crystallography",
number = "5",

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TY - JOUR

T1 - N-[ethyl(2-hydroxyethyl)carbamothioyl]-2-methylbenzamide

AU - Mohd. Yamin, Bohari

AU - Hizam, Sara Maira M

AU - Mohd Yusoff, Siti Fairus

AU - Hasbullah, Siti Aishah

PY - 2014

Y1 - 2014

N2 - The title compound, C13H18N2O 2S, adopts a cis conformation between the methylbenzoyl and thiono groups across their thiourea C - N bond. However, the methylbenzoyl group and N2CS thiourea moiety are twisted by 15.03(3)°. In the molecule there is an N - H⋯O hydrogen bond. In the crystal, molecules are linked by O - H⋯O interactions, generating chains extending along the c-axis direction.

AB - The title compound, C13H18N2O 2S, adopts a cis conformation between the methylbenzoyl and thiono groups across their thiourea C - N bond. However, the methylbenzoyl group and N2CS thiourea moiety are twisted by 15.03(3)°. In the molecule there is an N - H⋯O hydrogen bond. In the crystal, molecules are linked by O - H⋯O interactions, generating chains extending along the c-axis direction.

KW - data-to-parameter ratio = 15.3

KW - mean σ(C-C) = 0.003 A°

KW - R factor = 0.036

KW - single-crystal X-ray study

KW - T = 296 K

KW - wR factor = 0.088

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U2 - 10.1107/S1600536814008952

DO - 10.1107/S1600536814008952

M3 - Article

VL - 70

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

SN - 1600-5368

IS - 5

ER -