Crystal structure of 4-hydroxy-3-meth-oxybenzaldehyde 4-methylthiosemi-carbazone methanol monosolvate

Adriano Bof De Oliveira*, Johannes Beck, Christian Landvogt, Barbara Regina Santos Feitosa, W. T A Harrison (Editor)

*Corresponding author for this work

Research output: Contribution to journalArticle

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Abstract

In the title solvate, C15H15N3O2S·CH3OH, the thio-semicarbazone molecule is approximately planar; the maximum deviation from the mean plane is 0.4659 (14) Å and the dihedral angle between the aromatic rings is 9.83 (8)°. This conformation is supported by an intramolecular N - H⋯N hydrogen bond. In the crystal, the thiosemicarbazone molecules are linked into dimers by pairs of N - H⋯S hydrogen bonds, thereby generating R22(8) loops. The methanol solvent molecule bonds to the thiosemicarbazone molecule through a bifurcated O - H⋯(O,O) hydrogen bond and also accepts an O - H⋯O link from the thiosemicarbazone molecule. Together, these links generate a three-dimensional network.

Original languageEnglish
Pages (from-to)o313-o314
Number of pages2
JournalActa Crystallographica Section E: Structure Reports Online
Volume71
Issue number5
Early online date18 Apr 2015
DOIs
Publication statusPublished - 1 May 2015

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Methanol
Thiosemicarbazones
methyl alcohol
Crystal structure
crystal structure
Molecules
Hydrogen bonds
molecules
hydrogen bonds
Semicarbazones
Dihedral angle
Dimers
Conformations
dihedral angle
dimers
deviation
Crystals
rings
crystals

Keywords

  • Bifurcated hydrogen bond
  • Crystal structure
  • Thiosemicarbazone derivative from natural product (vanillin)

ASJC Scopus subject areas

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

Cite this

Crystal structure of 4-hydroxy-3-meth-oxybenzaldehyde 4-methylthiosemi-carbazone methanol monosolvate. / De Oliveira, Adriano Bof; Beck, Johannes; Landvogt, Christian; Feitosa, Barbara Regina Santos; Harrison, W. T A (Editor).

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 71, No. 5, 01.05.2015, p. o313-o314.

Research output: Contribution to journalArticle

De Oliveira, Adriano Bof ; Beck, Johannes ; Landvogt, Christian ; Feitosa, Barbara Regina Santos ; Harrison, W. T A (Editor). / Crystal structure of 4-hydroxy-3-meth-oxybenzaldehyde 4-methylthiosemi-carbazone methanol monosolvate. In: Acta Crystallographica Section E: Structure Reports Online. 2015 ; Vol. 71, No. 5. pp. o313-o314.
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abstract = "In the title solvate, C15H15N3O2S·CH3OH, the thio-semicarbazone molecule is approximately planar; the maximum deviation from the mean plane is 0.4659 (14) {\AA} and the dihedral angle between the aromatic rings is 9.83 (8)°. This conformation is supported by an intramolecular N - H⋯N hydrogen bond. In the crystal, the thiosemicarbazone molecules are linked into dimers by pairs of N - H⋯S hydrogen bonds, thereby generating R22(8) loops. The methanol solvent molecule bonds to the thiosemicarbazone molecule through a bifurcated O - H⋯(O,O) hydrogen bond and also accepts an O - H⋯O link from the thiosemicarbazone molecule. Together, these links generate a three-dimensional network.",
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AU - Feitosa, Barbara Regina Santos

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AB - In the title solvate, C15H15N3O2S·CH3OH, the thio-semicarbazone molecule is approximately planar; the maximum deviation from the mean plane is 0.4659 (14) Å and the dihedral angle between the aromatic rings is 9.83 (8)°. This conformation is supported by an intramolecular N - H⋯N hydrogen bond. In the crystal, the thiosemicarbazone molecules are linked into dimers by pairs of N - H⋯S hydrogen bonds, thereby generating R22(8) loops. The methanol solvent molecule bonds to the thiosemicarbazone molecule through a bifurcated O - H⋯(O,O) hydrogen bond and also accepts an O - H⋯O link from the thiosemicarbazone molecule. Together, these links generate a three-dimensional network.

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