Browse
Submit Data
Databases
API
Help

Dataset Information

29 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,5-Dimethoxy-benzaldehyde thio-semicarbazone.

ABSTRACT: 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.

SUBMITTER: Fun HK

PROVIDER: S-EPMC2959953 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

2,5-Dihydroxy-benzaldehyde 4-methyl-thio-semicarbazone.

Project description: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.

| S-EPMC2961871 | 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

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.

| S-EPMC2962080 | 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

2,4-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.

| S-EPMC3050402 | biostudies-literature

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.

| S-EPMC2959547 | biostudies-literature

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.

| S-EPMC2959729 | 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

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

(E)-4-(Benz-yloxy)benzaldehyde thio-semicarbazone.

Project description:In the title compound, C(15)H(15)N(3)OS, the thio-semicarbazone group adopts an E configuration with respect to the C=N bond. The benzaldehyde thio-semicarbazone fragment is almost planar [maximum deviation = 0.012 (1) Å], while the dihedral angle between the benz-yloxy and phenyl rings is 72.48 (5)°. In the crystal structure, mol-ecules are inter-connected by N-H⋯N and N-H⋯S hydrogen bonds, forming a two-dimensional network parallel to the bc plane and are further stacked along the a axis by π-π inter-actions [centroid-centroid separation 3.9043 (7) Å]. The crystal structure is also stabilized by C-H⋯π inter-actions.

| S-EPMC2961576 | 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