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4-Hy-droxy-3-meth-oxy-benzaldehyde thio-semicarbazone.

ABSTRACT: In the title compound, C9H11N3S, there is an intra-molecular O-H⋯O hydrogen bond involving the OH group and the adjacent methoxy O atom. The mol-ecule is essentially planar, with the maximum deviation from the mean plane of the non-H atoms being 0.1127 (14) Å for the methyl C atom. In the crystal, mol-ecules are connected via centrosymmetric pairs of N-H⋯S and O-H⋯O hydrogen bonds into a two-dimensional network parallel to (10-3).

SUBMITTER: de Oliveira AB

PROVIDER: S-EPMC3885096 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-Hy-droxy-4-meth-oxy-benzaldehyde thio-semicarbazone.

Project description:The title Schiff base compound, C(9)H(11)N(3)O(2)S, was prepared by the reaction of equimolar quanti-ties of 2-hy-droxy-4-meth-oxy-benzaldehyde with thio-semicarbazide in methanol. The mol-ecule adopts a trans configuration with respect to the azo-methine group and an intra-molecular O-H?N hydrogen bond generates an S(6) ring. In the crystal structure, mol-ecules are linked through inter-molecular N-H?O and N-H?S hydrogen bonds, forming a three-dimensional network.

| S-EPMC3008052 | biostudies-literature

4-Hy-droxy-3-meth-oxy-benzaldehyde 4-phenyl-thio-semicarbazone.

Project description:In the title compound, C15H15N3O2S, the central C-N-N-C unit has an anti conformation [torsion angle = -170.17?(15)°]. The phenyl substituent is oriented perpendicular to this unit [dihedral angle of 89.2?(1)°], whereas the substituted ring is rotated out of this plane by only 18.86?(17)°. In the crystal, mol-ecules are linked by pairs of N-H?S hydrogen bonds into inversion dimers that are further connected via N-H?O and O-H?S hydrogen bonds into a three-dimensional network.

| S-EPMC3998432 | biostudies-literature

4-Hy-droxy-3-meth-oxy-benzaldehyde 4-ethyl-thio-semicarbazone.

Project description:In the crystal structure of the title compound, C11H15N3O2S, the C-N-N-C and C-N-C-C torsion angles involving the benzene ring and ethyl group are 11.91?(15) and 99.4?(2)°, respectively. An intra-molecular N-H?N hydrogen bond is observed. In the crystal, mol-ecules are linked via N-H?O and N-H?S hydrogen bonds into a three-dimensional hydrogen bonded network. Finally, the molecules show a herringbone arrangement when viewed along the a axis.

| S-EPMC4158485 | biostudies-literature

5-Bromo-2-hy-droxy-benzaldehyde thio-semicarbazone.

Project description:The mol-ecule of the title compound, C(8)H(8)BrN(3)OS, is close to being planar, with maximum deviations of -0.127?(3) and 0.135?(5)?Å for the N atoms of the -NH- and NH(2)- groups, respectively. Intra-molecular N-H?N and O-H?N hydrogen bonds to the same acceptor N atom generate S(5) and S(6) ring motifs. In the crystal structure, mol-ecules are connected into [010] chains by pairs of N-H?S hydrogen bonds with R(2) (2)(8) graph-set motifs. The crystal used for data collection was found to be an inversion twin.

| S-EPMC3009273 | biostudies-literature

5-Bromo-2-hy-droxy-benzaldehyde 4-ethyl-thio-semicarbazone.

Project description:In the title Schiff base compound, C10H12BrN3OS, the C-N-N-C torsion angle is 172.07?(11)°. An intra-molecular hydrogen bond exists between the hy-droxy H atom and the azomethine N atom. In the crystal, pairs of hydrogen bonds involving the imino H atom and the S atom give rise to supra-molecular dimers.

| S-EPMC3648288 | biostudies-literature

5-Chloro-2-hy-droxy-benzaldehyde 4-ethyl-thio-semicarbazone.

Project description:In the title compound, C(10)H(12)ClN(3)OS, the -C=N-N-C- chain bridging the ethyl-imino group and the benzene ring adopts an extended conformation with a C-N-N-C torsion angle of -171.98?(11)°. The imino H atom of the chain is a hydrogen-bond donor to the S atom of an inversion-related mol-ecule, forming a supra-molecular dimer. The hy-droxy H atom is intra-molecularly hydrogen bonded to the azomethine N atom.

| S-EPMC3120593 | biostudies-literature

5-Chloro-2-hy-droxy-benzaldehyde thio-semicarbazone.

Project description:In the title compound, C(8)H(8)ClN(3)OS, the whole mol-ecule assumes a planar structure, with an r.m.s. deviation of 0.108?(2)?Å, and an intra-molecular O-H?N hydrogen bond generates and S(6) and ring motif. In the crystal structure, each of two pairs of inter-molecular N-H?S hydrogen bonds connects two mol-ecules, forming inversion dimers with R(2) (2)(8) motifs.

| S-EPMC3009088 | biostudies-other

5-Hy-droxy-2-nitro-benzaldehyde thio-semicarbazone (HNBATSC).

Project description:The asymmetric unit of the title compound, C8H8N4O3S, consists of two independent mol-ecules. Each mol-ecule is approximately planar with dihedral angles of 8.71?(3) and 1.50?(2)° between the aromatic ring and the thio-semicarbazide moiety while the NO2 group makes dihedral angles of 29.27?(3) and 17.78?(3)° with the benzene ring. In the crystal, the molecules are linked by N-H?S, O-H?O and N-H?O hydrogen bonds, forming two-dimensional networks parallel to (100).

| S-EPMC4158534 | biostudies-other

2-Hy-droxy-3-meth-oxy-benzaldehyde (o-vanillin) revisited.

Project description:The structure of ortho-vanillin, C(8)H(8)O(3), has been revisited with modern methods and at low temperature (100?K). The previous structure [Iwasaki et al. (1976 ?). Acta Cryst. B32, 1264-1266] is confirmed, but geometric precision is improved by an order of magnitude. The C atom of the meth-oxy group lies close to the benzene ring plane, which is the most common geometry for -OMe groups lying ortho to -OH groups on an aromatic ring. The crystal structure displays one intra-molecular O-H?O and three weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC3414273 | biostudies-literature

Bis(4-hy-droxy-3-meth-oxy-benzaldehyde 4-phenyl-thio-semicarbazonato-N (1),S)nickel(II).

Project description:In the title compound, [Ni(C15H14N3O2S)2], the Ni(II) atom lies on a center of symmetry. The deprotonated ligands act as N,S-donors, forming five-membered metalla-rings. The Ni(II) atom is four-coordinated in a slightly distorted square-planar environment. In the crystal, the discrete complex mol-ecules are linked by weak N-H?O hydrogen bonds, generating chains along [110]. The chains are further connected via weak O-H?N inter-actions into a layered network extending parallel to (001).

| S-EPMC4011249 | biostudies-literature

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