Browse
Submit Data
Databases
API
Help

Dataset Information

31 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-2-(4-Benz-yloxy-2-hy-droxy-benzyl-idene)-N-phenyl-hydrazinecarbothio-amide.

ABSTRACT: The title compound, C(21)H(19)N(3)O(2)S, exists in the thione form. The configuration about the C=N bond is E. The hydrazinecarbothio-amide unit adopts an almost planar arrangement, with maximum deviations of 0.016?(3) and -0.016?(2)?Å for the two thio-urea N atoms. An intra-molecular O-H?N hydrogen bond occurs. Weak inter-molecular N-H?S, C-H?O and C-H?? inter-actions are observed in the crystal structure.

SUBMITTER: Nisha K

PROVIDER: S-EPMC3239056 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-2-(4-Benz-yloxy-2-hy-droxy-benzyl-idene)-N-phenyl-hydrazinecarbothio-amide.

Nisha K K Sithambaresan M M Kurup M R Prathapachandra MR

Acta crystallographica. Section E, Structure reports online 20111125 Pt 12

The title compound, C(21)H(19)N(3)O(2)S, exists in the thione form. The configuration about the C=N bond is E. The hydrazinecarbothio-amide unit adopts an almost planar arrangement, with maximum deviations of 0.016 (3) and -0.016 (2) Å for the two thio-urea N atoms. An intra-molecular O-H⋯N hydrogen bond occurs. Weak inter-molecular N-H⋯S, C-H⋯O and C-H⋯π inter-actions are observed in the crystal structure. ...[more]

PMID: 22199904

Similar Datasets

(E)-2-(4-Benz-yloxy-2-hy-droxy-benzyl-idene)-N-methyl-hydrazinecarbo-thio-amide.

Project description:The mol-ecule of the title compound, C16H17N3O2S, adopts an E conformation with respect to the azomethine C=N bond. The hydrazinecarbo-thio-amide fragment is close to planar, with a largest deviation from the least-squares plane of 0.079 (2) Å for the hydrazide N atom. This fragment forms a dihedral angle of 9.43 (9)° with the central benzene ring. The benzene rings are inclined to one another by 67.55 (12)°. The mol-ecular conformation is stabilized by an intra-molecular O-H⋯N hydrogen bond involving the azomethine N atom. In the crystal, mol-ecules are linked through weak N-H⋯S and N-H⋯O hydrogen bonds into double ribbons along [010]. The crystal packing also features C-H⋯π inter-actions.

| S-EPMC3998281 | biostudies-literature

N'-[(E)-4-Benz-yloxy-2-hy-droxy-benzyl-idene]benzohydrazide.

Project description:The title compound, C(21)H(18)N(2)O(3), exists in the E conformation with respect to the azomethane C=N double bond. The central benzene ring is almost coplanar with one of the substituent benzene rings [dihedral angle = 1.74 (5)°] and is approximately orthogonal to the other benzene ring of the mol-ecule [dihedral angle = 86.61 (7)°]. An intra-molecular O-H⋯N hydrogen bond occurs. The crystal packing is dominated by N-H⋯O hydrogen bonds, which lead to an infinite chain running parallel to [010].

| S-EPMC3435816 | biostudies-literature

2-[(E)-2-Hy-droxy-3-methoxy-benzyl-idene]-N-methyl-hydrazinecarbothio-amide.

Project description:In the crystal structure of the title compound, C11H15N3O2S, mol-ecules are linked by pairs of N-H?O and O-H?S hydrogen, forming inversion dimers. These dimers are linked by N-H?S hydrogen bonds, forming double-stranded chains propagating along the b-axis direction. The two C atoms of the end chain of the mol-ecule are disordered over two sets os sites [occupancy ratio 0.574?(9):0.426?(9)].

| S-EPMC3588310 | biostudies-literature

N-Ethyl-2-[1-(2-hy-droxy-6-meth-oxy-phenyl)ethyl-idene]hydrazinecarbothio-amide.

Project description:In the title compound, C(12)H(17)N(3)O(2)S, the dihedral angle between the mean planes of the hydrazinecarbothio-amide group and the benzene ring is 86.8?(4)°. In the crystal, inter-molecular O-H?S hydrogen bonds link the mol-ecules into chains along [001]. The crystal studied was an inversion twin, the refined ratio of the twin components being 0.98021?(3):0.01978?(7).

| S-EPMC3470346 | biostudies-literature

N'-[(E)-4-Benz-yloxy-2-hy-droxy-benzyl-idene]-4-nitro-benzohydrazide monohydrate.

Project description:The title compound, C(21)H(17)N(3)O(5)·H(2)O, exists in the keto form with an E conformation with respect to the azomethine double bond. The twist angles between the aromatic rings are in the range 4.67 (10)-17.54 (10)°. A water mol-ecule of solvation is present in the lattice. A conventional intra-molecular O-H⋯N hydrogen bond increases the rigidity of the mol-ecule. Inter-molecular O-H⋯O, N-H⋯O and C-H⋯O hydrogen-bonding inter-actions establish a supra-molecular linkage among the mol-ecules in the crystal structure. There are also C-H⋯π inter-actions present.

| S-EPMC3344544 | biostudies-literature

Crystal structure of 2-[(E)-4-benz-yloxy-2-hy-droxy-benzyl-idene]-N-cyclo-hexyl-hydrazinecarbo-thio-amide aceto-nitrile hemisolvate.

Project description:The asymmetric unit of the title compound, C21H25N3O2S·0.5C2H3N, contains two independent mol-ecules with almost similar structural properties along with a solvent mol-ecule of aceto-nitrile. The compound exists in the E conformation with respect to the azomethine C=N double bond. The hydrazinecarbo-thio-amide moieties in both independent mol-ecules are almost planar [maximum deviations of 0.013 (2) and 0.007 (2) Å]. The mol-ecular conformation is stabilized in each case by an intra-molecular N-H⋯N hydrogen bond. In the crystal, pairs of N-H⋯S hydrogen bonds link each of the independent mol-ecules into inversion dimers. The dimers are inter-connected by means of three C-H⋯π inter-actions.

| S-EPMC4186196 | biostudies-literature

N'-[(E)-4-Benz-yloxy-2-hy-droxy-benzyl-idene]-4-nitro-benzohydrazide di-methyl-formamide monosolvate.

Project description:The title compound, C21H17N3O5·C3H7NO, exists in an E conformation with respect to the azomethine double bond of the hydrazide mol-ecule. This mol-ecule contains an intra-molecular O-H⋯N hydrogen bond, while an inter-molecular N-H⋯O hydrogen bond links the hydrazide to the formamide mol-ecule of solvation. Nonclassical C-H⋯O inter-molecular hydrogen bonds build up a supra-molecular architecture, together with two C-H⋯π inter-actions and a weak π-π inter-action, with a centroid-centroid distance of 3.650 (13) Å.

| S-EPMC3770421 | biostudies-literature

(E)-2-[(E)-3-(Hy-droxy-imino)-butan-2-yl-idene]-N-methyl-hydrazinecarbothio-amide.

Project description:In the title compound, C(6)H(12)N(4)OS, an intra-molecular N-H?N hydrogen-bond is present giving rise to an S(5) ring motif. In the crystal, double-stranded chains propagating along [10[Formula: see text]] are formed via pairs of O-H?S and N-H?S hydrogen bonds. The chains are further stabilized by C-H?S interactions.

| S-EPMC3254522 | biostudies-literature

(E)-N-Ethyl-2-[(E)-3-(hy-droxy-imino)-butan-2-yl-idene]hydrazinecarbothio-amide.

Project description:In the crystal structure of the title compound, C(7)H(14)N(4)OS, mol-ecules are linked through N-H⋯S and O-H⋯N hydrogen bonds and C-H⋯S interactions, forming chains propagating along [21-1].

| S-EPMC3414996 | biostudies-literature

Methyl 4-benz-yloxy-2-hy-droxy-benzoate.

Project description:In the title compound, C15H14O4, the dihedral angle between the benzene rings is 67.18 (8)°. The Ca-Cm-O-Ca (a = aromatic and m = methyl-ene) torsion angle is 172.6 (3)° and an intra-molecular O-H⋯O hydrogen bond generates an S(6) ring. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds into zigzag chains propagating in [001] and C-H⋯π inter-actions also occur.

| S-EPMC3588978 | 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