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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.

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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(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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2,5-Dimethoxy-benzaldehyde thio-semicarbazone.

Project description:In the title mol-ecule, C(10)H(13)N(3)O(2)S, the dihedral angle between benzene and -N-C(=S)-N-N=C- planes is 9.20 (6)°. The two meth-oxy groups are coplanar with the benzene ring [C-O-C-C torsion angles of -2.31 (18) and -6.45 (17)°]. In the crystal structure, mol-ecules are linked by inter-molecular N-H⋯S, N-H⋯O and C-H⋯O hydrogen bonds, forming a three-dimensional network.

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

Project description: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.

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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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(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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2,4-Dichloro-benzaldehyde 4-methyl-thio-semicarbazone.

Project description:The mol-ecule of the title compound, C(9)H(9)Cl(2)N(3)S, has an E configuration about the C=N bond. In the crystal, mol-ecules are linked through inter-molecular N-H?S hydrogen bonds, forming zigzag chains along the a axis.

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Benzaldehyde thio-semicarbazone.

Project description:The title compound, C(8)H(9)N(3)S, contains two mol-ecules in the asymmetric unit. One mol-ecule is close to being planar (r.m.s. deviation from the mean plane = 0.06 Å for the non-H atoms), while the other exhibits a dihedral angle of 21.7 (1)° between the benzene ring and the mean plane of the thio-semicarbazone unit. Inter-molecular N-H⋯S hydrogen bonds link the mol-ecules into layers parallel to the (010) plane.

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Benzaldehyde thio-semicarbazone monohydrate.

Project description:In the title compound, C(8)H(9)N(3)S·H(2)O, intra-molecular N-H⋯N hydrogen bonding contributes to the mol-ecular conformation. Water mol-ecules are involved in inter-molecular N-H⋯O and O-H⋯S hydrogen bonds, which link the mol-ecules into ribbons extended along the a axis. Weak inter-molecular N-H⋯S hydrogen bonds link these ribbons into layers parallel to the ab plane with the phenyl rings pointing up and down.

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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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