(E)-2-(3-Cinnamoylthioureido)acetic acid dimethyl sulfoxide disolvate

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2 Citations (Scopus)

Abstract

In the title compound, C 12H 12N 2O 3S·2C 2H 6OS, the acetic acid and cinnamoyl groups adopt Z and E configurations, respectively, with respect to the thio group about the C-N bonds. The components of the asymmetric unit are connected by N-H⋯O and O-H⋯O hydrogen bonds and in the crystal weak inter-molecular C-H⋯O and C-H⋯S hydrogen bonds further connect the components into chains along the b axis. In the main mol-ecule, an intramolecular N-H⋯O hydrogen bond is also present.

Original languageEnglish
JournalActa Crystallographica Section E: Structure Reports Online
Volume67
Issue number10
DOIs
Publication statusPublished - Oct 2011

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Dimethyl sulfoxide
Dimethyl Sulfoxide
acetic acid
Acetic acid
Acetic Acid
Hydrogen bonds
hydrogen bonds
Crystals
configurations
crystals

Keywords

  • data-to-parameter ratio = 15.7
  • mean σ(C-C) = 0.010 Å
  • R factor = 0.085
  • single-crystal X-ray study
  • T = 298 K
  • wR factor = 0.251

ASJC Scopus subject areas

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

Cite this

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title = "(E)-2-(3-Cinnamoylthioureido)acetic acid dimethyl sulfoxide disolvate",
abstract = "In the title compound, C 12H 12N 2O 3S·2C 2H 6OS, the acetic acid and cinnamoyl groups adopt Z and E configurations, respectively, with respect to the thio group about the C-N bonds. The components of the asymmetric unit are connected by N-H⋯O and O-H⋯O hydrogen bonds and in the crystal weak inter-molecular C-H⋯O and C-H⋯S hydrogen bonds further connect the components into chains along the b axis. In the main mol-ecule, an intramolecular N-H⋯O hydrogen bond is also present.",
keywords = "data-to-parameter ratio = 15.7, mean σ(C-C) = 0.010 {\AA}, R factor = 0.085, single-crystal X-ray study, T = 298 K, wR factor = 0.251",
author = "Hassan, {Ibrahim N.} and {Wan Daud}, {Wan Ramli} and {Mohd. Yamin}, Bohari and Mohammad Kassim",
year = "2011",
month = "10",
doi = "10.1107/S1600536811036750",
language = "English",
volume = "67",
journal = "Acta Crystallographica Section E: Structure Reports Online",
issn = "1600-5368",
publisher = "International Union of Crystallography",
number = "10",

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TY - JOUR

T1 - (E)-2-(3-Cinnamoylthioureido)acetic acid dimethyl sulfoxide disolvate

AU - Hassan, Ibrahim N.

AU - Wan Daud, Wan Ramli

AU - Mohd. Yamin, Bohari

AU - Kassim, Mohammad

PY - 2011/10

Y1 - 2011/10

N2 - In the title compound, C 12H 12N 2O 3S·2C 2H 6OS, the acetic acid and cinnamoyl groups adopt Z and E configurations, respectively, with respect to the thio group about the C-N bonds. The components of the asymmetric unit are connected by N-H⋯O and O-H⋯O hydrogen bonds and in the crystal weak inter-molecular C-H⋯O and C-H⋯S hydrogen bonds further connect the components into chains along the b axis. In the main mol-ecule, an intramolecular N-H⋯O hydrogen bond is also present.

AB - In the title compound, C 12H 12N 2O 3S·2C 2H 6OS, the acetic acid and cinnamoyl groups adopt Z and E configurations, respectively, with respect to the thio group about the C-N bonds. The components of the asymmetric unit are connected by N-H⋯O and O-H⋯O hydrogen bonds and in the crystal weak inter-molecular C-H⋯O and C-H⋯S hydrogen bonds further connect the components into chains along the b axis. In the main mol-ecule, an intramolecular N-H⋯O hydrogen bond is also present.

KW - data-to-parameter ratio = 15.7

KW - mean σ(C-C) = 0.010 Å

KW - R factor = 0.085

KW - single-crystal X-ray study

KW - T = 298 K

KW - wR factor = 0.251

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U2 - 10.1107/S1600536811036750

DO - 10.1107/S1600536811036750

M3 - Article

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VL - 67

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

SN - 1600-5368

IS - 10

ER -