Browse
Submit Data
Databases
API
Help

Dataset Information

16 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-2-Hydr-oxy-3-methoxy-benzaldehyde thio-semicarbazone.

ABSTRACT: In the title compound, C(9)H(11)N(3)O(2)S, intra-molecular O-H?O and N-H?N hydrogen bonds contribute to the planarity of the mol-ecular skeleton. Inter-molecular N-H?O hydrogen bonds link the mol-ecules into zigzag chains along the b axis; these mol-ecules are futher paired by ?-? inter-actions [centroid-centroid distance 4.495?(5)?Å]. The crystal structure also exhibits weak inter-molecular N-H?S and O-H?S hydrogen bonds.

SUBMITTER: Zhao RG

PROVIDER: S-EPMC2961450 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-2-Hydr-oxy-3-methoxy-benzaldehyde thio-semicarbazone.

Zhao Ren-Gao RG Zhang Wei W Li Ji-Kun JK Zhang Li-Ya LY

Acta crystallographica. Section E, Structure reports online 20080517 Pt 6

In the title compound, C(9)H(11)N(3)O(2)S, intra-molecular O-H⋯O and N-H⋯N hydrogen bonds contribute to the planarity of the mol-ecular skeleton. Inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into zigzag chains along the b axis; these mol-ecules are futher paired by π-π inter-actions [centroid-centroid distance 4.495 (5) Å]. The crystal structure also exhibits weak inter-molecular N-H⋯S and O-H⋯S hydrogen bonds. ...[more]

PMID: 21202624

Similar Datasets

3-Hydr-oxy-4-methoxy-benzaldehyde thio-semicarbazone hemihydrate.

Project description:The asymmetric unit of the title compound, C(9)H(11)N(3)O(2)S·0.5H(2)O, comprises two crystallograpically independent thio-semicarbazone mol-ecules (A and B) and a water mol-ecule of crystallization. In each of the thio-semicarbazone mol-ecules, intra-molecular O-H⋯O and N-H⋯N hydrogen bonds form five-membered rings, producing S(5) ring motifs. Inter-molecular O-H⋯S and N-H⋯O inter-actions between mol-ecule B and the water mol-ecule form a six-membered ring, producing an R(2) (2)(6) ring motif. Inter-molecular N-H⋯S hydrogen bonds form dimers involving pairs of both A and B mol-ecules, which form R(2) (2)(8) ring motifs. The angles between the aromatic ring and thio-urea unit in the two mol-ecules are 0.80 (6) and 3.28 (5)°, which proves that each mol-ecule is fairly planar. The crystal structure is stabilized by inter-molecular O-H⋯S (×2), O-H⋯O, N-H⋯S (×2) and N-H⋯O (×2) hydrogen bonds and C-H⋯O (×2) contacts to form a three-dimensional network.

| S-EPMC2959916 | biostudies-literature

2-Hydr-oxy-5-nitro-benzaldehyde thio-semicarbazone.

Project description:The mol-ecule of the title compound, C(8)H(8)N(4)O(3)S, is planar. Adjacent mol-ecules are linked through O-H?S, N-H?S and N-H?O hydrogen bonds into a three-dimensional network.

| S-EPMC2962218 | biostudies-literature

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.

| S-EPMC2960035 | 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 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

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

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.

| S-EPMC2968075 | biostudies-literature

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.

| S-EPMC2959953 | biostudies-literature

2-Chloro-5-nitro-benzaldehyde thio-semicarbazone.

Project description:The title Schiff base compound, C(8)H(7)ClN(4)O(2)S, was prepared by the reaction of equimolar quanti-ties of 2-chloro-5-nitro-benzaldehyde with thio-semicarbazide in methanol. The mol-ecule adopts a trans configuration with respect to the azomethine group and the dihedral angle between the benzene ring and the thio-semicarbazide group is 6.8?(3)°. In the crystal, mol-ecules are linked through inter-molecular N-H?S hydrogen bonds, forming chains propagating in [010].

| S-EPMC2983295 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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