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2,5-Dihydroxy-benzaldehyde 4-methyl-thio-semicarbazone.

ABSTRACT: The planar mol-ecules of the title compound, C(9)H(11)N(3)O(2)S, are linked into a supra-molecualr chain via O-H?S hydrogen bonds. These chains are connected into a two-dimensional array via N-H?O hydrogen bonds; an intra-molecular O-H?N hydrogen bond is also present.

SUBMITTER: Tan KW

PROVIDER: S-EPMC2961871 | biostudies-other | 2008

REPOSITORIES: biostudies-other

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2,5-Dihydroxy-benzaldehyde 4-methyl-thio-semicarbazone.

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

Acta crystallographica. Section E, Structure reports online 20080628 Pt 7

The planar mol-ecules of the title compound, C(9)H(11)N(3)O(2)S, are linked into a supra-molecualr chain via O-H⋯S hydrogen bonds. These chains are connected into a two-dimensional array via N-H⋯O hydrogen bonds; an intra-molecular O-H⋯N hydrogen bond is also present. ...[more]

PMID: 21202966

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2,4-Dihydroxy-benzaldehyde 4-methyl-thio-semicarbazone.

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

Project description:The title compound, C(9)H(11)N(3)O(2)S, 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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2,4-Dihydroxy-benzaldehyde 4-ethyl-thio-semicarbazone.

Project description:The mol-ecular conformation of the title compound, C(10)H(13)N(3)O(2)S, is stabilized by an intramolecular O-H?N hydrogen bond. Adjacent mol-ecules are linked by O-H?O hydrogen bonds to furnish a zigzag chain.

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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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(E)-2,4-Dihydroxy-benzaldehyde 4-ethyl-thio-semicarbazone-4,4'-bipyridine-water (4/7/2).

Project description:The asymmetric unit of the title compound, 7C(10)H(8)N(2)·4C(10)H(13)N(3)O(2)S·2H(2)O, contains two independent 2,4-hydroxy-benzaldehyde 4-ethyl-thio-semicarbazone mol-ecules, three and a half 4,4'-bipyridine mol-ecules and one water mol-ecule. Two of the 4,4'-bipyridine mol-ecules lie on general positions and the other three on centers of inversion. The two 4,4'-bipyridine mol-ecules on general positions and one of the three on special positions are disordered over two positions each with an occupancy of 0.50. The -NH-C(=S)-NH-NC fragment is close to planar in the two 2,4-hydroxy-benzaldehyde 4-ethyl-thio-semicarbazone mol-ecules (r.m.s. deviations = 0.04 and 0.05 Å). In the crystal, the Schiff base, N-heterocycle and water mol-ecules engage in O-H⋯O, O-H⋯N and N-H⋯O hydrogen-bonding inter-actions, generating a layer structure.

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3-Nitro-benzaldehyde thio-semicarbazone.

Project description:The mol-ecule of the title compound, C(8)H(8)N(4)O(2)S, adopts an E configuration about both the C-N bonds. In the crystal structure, adjacent mol-ecules are linked by inter-molecular N-H?S hydrogen-bonding inter-actions, forming chains running parallel to the b axis.

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