Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: de Oliveira AB

PROVIDER: S-EPMC3998432 | biostudies-literature | 2014 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

de Oliveira Adriano Bof AB Feitosa Bárbara Regina Santos BR Näther Christian C Jess Inke I

Acta crystallographica. Section E, Structure reports online 20140212 Pt 3

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. ...[more]

PMID: 24764990

Similar Datasets

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

Project description: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).

| S-EPMC3885096 | biostudies-literature

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-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

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

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

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.

| S-EPMC2961546 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data