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 language | English |
|---|---|
| Pages (from-to) | o313-o314 |
| Number of pages | 2 |
| Journal | Acta Crystallographica Section E: Structure Reports Online |
| Volume | 71 |
| Issue number | 5 |
| Early online date | 18 Apr 2015 |
| DOIs | |
| Publication status | Published - 1 May 2015 |
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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 journal › Article
}
TY - JOUR
T1 - Crystal structure of 4-hydroxy-3-meth-oxybenzaldehyde 4-methylthiosemi-carbazone methanol monosolvate
AU - De Oliveira, Adriano Bof
AU - Beck, Johannes
AU - Landvogt, Christian
AU - Feitosa, Barbara Regina Santos
A2 - Harrison, W. T A
N1 - BRSF thanks CNPq/UFS for the award of a PIBIC scholarship.
PY - 2015/5/1
Y1 - 2015/5/1
N2 - 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.
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.
KW - Bifurcated hydrogen bond
KW - Crystal structure
KW - Thiosemicarbazone derivative from natural product (vanillin)
UR - http://www.scopus.com/inward/record.url?scp=84928114526&partnerID=8YFLogxK
U2 - 10.1107/S2056989015007227
DO - 10.1107/S2056989015007227
M3 - Article
AN - SCOPUS:84928114526
VL - 71
SP - o313-o314
JO - Acta Crystallographica Section E: Structure Reports Online
JF - Acta Crystallographica Section E: Structure Reports Online
SN - 1600-5368
IS - 5
ER -