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Crystal structure of a 1,1,2,2-tetra-chloro-ethane-solvated hydrazinecarbo-thio-amide compound.

ABSTRACT: The title compound, [(1-{4-[2-(2,4-di-hydroxy-phen-yl)diazen-1-yl]phen-yl}ethyl-idene)amino]-thio-urea, 1,1,2,2-tetra-chloro-ethane monosolvate, C₁₅H₁₅N₅O₂S·C₂H₂Cl₄, was prepared from 4-(4-acetyl-phenyl-diazendi-yl)resorcinol and thio-semicarbazide and recrystallized from mixed solvents of tetra-chloro-ethane and n-hexane. ¹H NMR and X-ray diffraction data are in support of the thione tautomeric form. The X-ray analysis shows the mol-ecule crystallizes as a zwitterion, with proton transfer from the nominal phenol to the azide group; the N-N bond length is 1.291?(5)?Å, and an intra-molecular N-H?O hydrogen bond is formed. In the crystal, N-H?O, N-H?N and O-H?S hydrogen bonds connect the mol-ecules into a three-dimensional network. The tetra-chloro-ethane solvent mol-ecules are linked to this network through weak C-H?O linkages.

SUBMITTER: Riyadh S

PROVIDER: S-EPMC5588558 | biostudies-literature | 2017 Sep

REPOSITORIES: biostudies-literature

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Crystal structure of a 1,1,2,2-tetra-chloro-ethane-solvated hydrazinecarbo-thio-amide compound.

Riyadh Sayed S Hughes David L DL Said Musa A MA

Acta crystallographica. Section E, Crystallographic communications 20170801 Pt 9

The title compound, [(1-{4-[2-(2,4-di-hydroxy-phen-yl)diazen-1-yl]phen-yl}ethyl-idene)amino]-thio-urea, 1,1,2,2-tetra-chloro-ethane monosolvate, C15H15N5O2S·C2H2Cl4, was prepared from 4-(4-acetyl-phenyl-diazendi-yl)resorcinol and thio-semicarbazide and recrystallized from mixed solvents of tetra-chloro-ethane and n-hexane. 1H NMR and X-ray diffraction data are in support of the thione tautomeric form. ...[more]

PMID: 28932452

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