Crystal structure of 2′-hydroxyaceto-phenone 4-methylthiosemicarbazide

Junita Jamsari, Nur Fatihah Abas, Thahira Begum S A Ravoof*, Edward R T Tiekink, W. T A Harrison (Editor)

*Corresponding author for this work

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In the organic molecule of the title hydrate, C11H15N3OS·H2O, {systematic name: 3-ethyl-1-{(E)-[1-(2-hydroxyphenyl) ethyl-idene]amino}thiourea monohydrate}, a dihedral angle of 5.39 (2)° is formed between the hydroxybenzene ring and the non-H atoms comprising the side chain (r.m.s. deviation = 0.0625 Å), with the major deviation from planarity noted for the terminal ethyl group [the C - N - C - C torsion angle = - 172.17 (13)°]. The N - H H atoms are syn and an intramolecular hydroxy-imine O - H⋯N hydrogen bond is noted. In the crystal, the N-bonded H atoms form hydrogen bonds to symmetry-related water molecules, and the latter form donor interactions with the hydroxy O atom and with a hydroxybenzene ring, forming a O - H⋯π interaction. The hydrogen bonding leads to supramolecular tubes aligned along the b axis. The tubes are connected into layers via C - H⋯O interactions, and these stack along the c axis with no directional interactions between them.

Original languageEnglish
Pages (from-to)o244-o245
Number of pages2
JournalActa Crystallographica Section E: Structure Reports Online
Issue number4
Publication statusPublished - 1 Apr 2015

Bibliographical note

Support for this project came from Universiti Putra Malaysia (UPM) under their Research University Grant Scheme (RUGS No. 9419400), Malaysian Fundamental Research Grant Scheme (FRGS No. 5524425) and the ScienceFund (Science Fund No. 5450726). We also thank Siti Khadijah Densabali for collecting the X-ray data. JJ wishes to acknowledge the Malaysian Government for sponsorship under the SGRA Scheme.


  • Crystal structure
  • Hydrogen bonding
  • O - H⋯πinteractions
  • Thiosemicarbazide


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