3-(2-Hy-droxy-phen-yl)-1-{(E)-[1-(pyrazin-2-yl)ethyl-idene]amino}-thio-urea monohydrate

Erna Normaya, Yang Farina Abdul Aziz, Siti Nadiah Abd Halim, Edward R T Tiekink

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

In the title compound, C13H13N5OS· H2O, the thio-urea molecules closely resemble each other and are approximately planar; the dihedral angles formed between the terminal benzene rings are 7.88 (8) and 7.20 (8)°, respectively. The observed planarity correlates with the presence of bifurcated N - H⋯(O,N) hydrogen bonds. In the crystal, the molecules are connected into supra-molecular double chains via a combination of N - H⋯S (linking the two independent molecules), O - H⋯O and O - H⋯N (linking dimeric aggregates into a supra-molecular chain via hydroxywater, water-water and water-pyrazine interactions) and O - H⋯S hydrogen bonds (connecting two chains). The chains are further connected by C - H⋯N and C - H⋯S interactions.

Original languageEnglish
JournalActa Crystallographica Section E: Structure Reports Online
Volume67
Issue number4
DOIs
Publication statusPublished - Apr 2011

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ureas
Urea
Molecules
Water
Hydrogen bonds
water
hydrogen bonds
Pyrazines
molecules
molecular chains
pyrazines
Dihedral angle
Benzene
dihedral angle
benzene
interactions
Crystals
rings
crystals

ASJC Scopus subject areas

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

Cite this

3-(2-Hy-droxy-phen-yl)-1-{(E)-[1-(pyrazin-2-yl)ethyl-idene]amino}-thio-urea monohydrate. / Normaya, Erna; Abdul Aziz, Yang Farina; Halim, Siti Nadiah Abd; Tiekink, Edward R T.

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 67, No. 4, 04.2011.

Research output: Contribution to journalArticle

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AB - In the title compound, C13H13N5OS· H2O, the thio-urea molecules closely resemble each other and are approximately planar; the dihedral angles formed between the terminal benzene rings are 7.88 (8) and 7.20 (8)°, respectively. The observed planarity correlates with the presence of bifurcated N - H⋯(O,N) hydrogen bonds. In the crystal, the molecules are connected into supra-molecular double chains via a combination of N - H⋯S (linking the two independent molecules), O - H⋯O and O - H⋯N (linking dimeric aggregates into a supra-molecular chain via hydroxywater, water-water and water-pyrazine interactions) and O - H⋯S hydrogen bonds (connecting two chains). The chains are further connected by C - H⋯N and C - H⋯S interactions.

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