Abstract
The title compound, C9H11N3O2S, adopts an E configuration with respect to the C=N bond. The mol-ecule is approximately planar, with an r.m.s. deviation from the mean plane through all 15 non-H atoms of 0.152 Å the dihedral angle between the benzene ring plane and the least-squares plane through the thio-semicarbazone unit is 12.48 (7)°. A weak intra-molecular N - H⋯N inter-action contributes to the planarity of the semicarbazone unit. Centrosymmetric pairs of O - H⋯O and N - H⋯S hydrogen bonds form chains along c, generating R 2 2(10) and R 2 2(8) ring motifs, respectively. In the crystal structure, these chains are further linked by inter-molecular O - H⋯S and C - H⋯O inter-actions, forming stacks down the c axis.
| Original language | English |
|---|---|
| Journal | Acta Crystallographica Section E: Structure Reports Online |
| Volume | 64 |
| Issue number | 11 |
| DOIs | |
| Publication status | Published - 2008 |
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ASJC Scopus subject areas
- Condensed Matter Physics
- Materials Science(all)
- Chemistry(all)
Cite this
(E)-3,4-Dihydroxy-benzaldehyde 4-methyl-thio-semicarbazone. / Abdul Aziz, Yang Farina; Simpson, Jim.
In: Acta Crystallographica Section E: Structure Reports Online, Vol. 64, No. 11, 2008.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - (E)-3,4-Dihydroxy-benzaldehyde 4-methyl-thio-semicarbazone
AU - Abdul Aziz, Yang Farina
AU - Simpson, Jim
PY - 2008
Y1 - 2008
N2 - The title compound, C9H11N3O2S, adopts an E configuration with respect to the C=N bond. The mol-ecule is approximately planar, with an r.m.s. deviation from the mean plane through all 15 non-H atoms of 0.152 Å the dihedral angle between the benzene ring plane and the least-squares plane through the thio-semicarbazone unit is 12.48 (7)°. A weak intra-molecular N - H⋯N inter-action contributes to the planarity of the semicarbazone unit. Centrosymmetric pairs of O - H⋯O and N - H⋯S hydrogen bonds form chains along c, generating R 2 2(10) and R 2 2(8) ring motifs, respectively. In the crystal structure, these chains are further linked by inter-molecular O - H⋯S and C - H⋯O inter-actions, forming stacks down the c axis.
AB - The title compound, C9H11N3O2S, adopts an E configuration with respect to the C=N bond. The mol-ecule is approximately planar, with an r.m.s. deviation from the mean plane through all 15 non-H atoms of 0.152 Å the dihedral angle between the benzene ring plane and the least-squares plane through the thio-semicarbazone unit is 12.48 (7)°. A weak intra-molecular N - H⋯N inter-action contributes to the planarity of the semicarbazone unit. Centrosymmetric pairs of O - H⋯O and N - H⋯S hydrogen bonds form chains along c, generating R 2 2(10) and R 2 2(8) ring motifs, respectively. In the crystal structure, these chains are further linked by inter-molecular O - H⋯S and C - H⋯O inter-actions, forming stacks down the c axis.
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U2 - 10.1107/S1600536808034326
DO - 10.1107/S1600536808034326
M3 - Article
C2 - 21581043
AN - SCOPUS:55749105126
VL - 64
JO - Acta Crystallographica Section E: Structure Reports Online
JF - Acta Crystallographica Section E: Structure Reports Online
SN - 1600-5368
IS - 11
ER -