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1-(2-Hy-droxy-eth-yl)-3-phenyl-thio-urea.

ABSTRACT: The title compound, C(9)H(12)N(2)OS, was obtained unexpectedly in a multicomponent reaction of an equimolar ratio of phenyl isothio-cyanate, malononitrile and amino-ethanol. The -C(H(2))-N(H)-(C=S)-N(H)- methyl-thio-urea-methane group is almost normal to the phenyl ring, with a dihedral angle of 71.13?(9)°. The N-C-C-O torsion angle is 72.8?(2)°. In the crystal, mol-ecules are connected by N-H?O, O-H?S and N-H?O hydrogen bonds, forming a three-dimensional network.

SUBMITTER: Abdelhamid AA 

PROVIDER: S-EPMC3344104 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature

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1-(2-Hy-droxy-eth-yl)-3-phenyl-thio-urea.

Abdelhamid Antar A AA   Mohamed Shaaban K SK   Akkurt Mehmet M   Singh Kuldip K   Potgieter Herman H  

Acta crystallographica. Section E, Structure reports online 20120324 Pt 4

The title compound, C(9)H(12)N(2)OS, was obtained unexpectedly in a multicomponent reaction of an equimolar ratio of phenyl isothio-cyanate, malononitrile and amino-ethanol. The -C(H(2))-N(H)-(C=S)-N(H)- methyl-thio-urea-methane group is almost normal to the phenyl ring, with a dihedral angle of 71.13 (9)°. The N-C-C-O torsion angle is 72.8 (2)°. In the crystal, mol-ecules are connected by N-H⋯O, O-H⋯S and N-H⋯O hydrogen bonds, forming a three-dimensional network. ...[more]

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