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3,4-Dihydroxy-benzaldehyde 4-phenyl-thio-semicarbazone.

ABSTRACT: Mol-ecules of the title compound, C(14)H(13)N(3)O(2)S, are linked by inter-molecular O-H?O hydrogen bonds into centrosymmetric dimers forming R(2) (2)(4) rings which are further linked by O-H?S hydrogen bonds and weaker N-H?S and N-H?O hydrogen bonds to form a three-dimensional network.

SUBMITTER: Tan KW

PROVIDER: S-EPMC2961546 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

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3,4-Dihydroxy-benzaldehyde 4-phenyl-thio-semicarbazone.

Tan Kong Wai KW Farina Yang Y Ng Chew Hee CH Maah Mohd Jamil MJ Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20080510 Pt 6

Mol-ecules of the title compound, C(14)H(13)N(3)O(2)S, are linked by inter-molecular O-H⋯O hydrogen bonds into centrosymmetric dimers forming R(2) (2)(4) rings which are further linked by O-H⋯S hydrogen bonds and weaker N-H⋯S and N-H⋯O hydrogen bonds to form a three-dimensional network. ...[more]

PMID: 21202558

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(E)-3,4-Dihydroxy-benzaldehyde 4-methyl-thio-semicarbazone.

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(E)-3,4-Dihydroxy-benzaldehyde 4-ethyl-thio-semicarbazone.

Project description:The title compound, C(10)H(13)N(3)O(2)S, was prepared by condensation of 3,4-dihydroxy-benzaldehyde with 4-ethyl-3-thio-semicarbazide. The mol-ecule adopts an E configuration with respect to the C=N bond. One of the OH substituents on the dihydroxy-benzene ring is disordered over the two possible 3-positions on either side of the ordered 4-hydr-oxy group. The occupancy of the major disorder component refined to 0.633?(7). The mol-ecule is essentially planar, with an r.m.s. deviation through all non-H atoms of 0.0862?Å. An intra-molecular N-H?N hydrogen bond forms between the outer amine residue and the imine N atom, generating an S(5) ring motif and contributing to the planarity of the mol-ecule. In the crystal structure, an extensive network of classical O-H?O, O-H?S and N-H?S hydrogen bonds and weak C-H?O and S?O [3.301?(3)?Å] inter-actions link mol-ecules into sheets running approximately parallel to the ab plane.

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Project description:The approximately planar mol-ecule of the title compound, C(9)H(11)N(3)O(2)S, is linked to adjacent mol-ecules by O-H?S hydrogen bonds to form a zigzag chain. Adjacent chains are consolidated by N-H?O hydrogen bonds into a two-dimensional array. An intramolecular O-H?N link is also present.

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