Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-Methyl-1-(4-methylbenzylidene)thio-semicarbazide.

ABSTRACT: The title compound, C(10)H(13)N(3)S, prepared by the reaction of 4-methyl-benzaldehyde and 4-methyl-thio-semicarbazide, is approximately planar (r.m.s. deviation for the non-H atoms = 0.032?Å). Its conformation is stabilized by an intra-molecular N-H?N hydrogen bond, generating an S(5) ring. In the crystal, inversion dimers linked by pairs of N-H?S hydrogen bonds occur. Further weak N-H?S links connect the dimers into (100) sheets.

SUBMITTER: Li YF

PROVIDER: S-EPMC3009006 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-Methyl-1-(4-methylbenzylidene)thio-semicarbazide.

Li Yu-Feng YF

Acta crystallographica. Section E, Structure reports online 20101020 Pt 11

The title compound, C(10)H(13)N(3)S, prepared by the reaction of 4-methyl-benzaldehyde and 4-methyl-thio-semicarbazide, is approximately planar (r.m.s. deviation for the non-H atoms = 0.032 Å). Its conformation is stabilized by an intra-molecular N-H⋯N hydrogen bond, generating an S(5) ring. In the crystal, inversion dimers linked by pairs of N-H⋯S hydrogen bonds occur. Further weak N-H⋯S links connect the dimers into (100) sheets. ...[more]

PMID: 21589038

Similar Datasets

4-Methyl-1-(3-pyridyl-methyl-idene)thio-semicarbazide.

Project description:All the non-H atoms of the title compound, C(8)H(10)N(4)S, lie on a crystallographic mirror plane and an intra-molecular N-H?N hydrogen bond helps to stabilize the mol-ecular conformation. In the crystal, mol-ecules are linked through inter-molecular N-H?N hydrogen bonds, forming zigzag C(7) chains along the a axis.

| S-EPMC3011564 | biostudies-literature

4-Methyl-1-[4-(methyl-sulfan-yl)benzyl-idene]thio-semicarbazide.

Project description:The title compound, C(10)H(13)N(3)S(2), is roughly planar (r.m.s. deviation = 0.086?Å). In the crystal, N-H?S hydrogen bonds link the mol-ecules into (001) sheets.

| S-EPMC3213514 | biostudies-literature

4-Ethyl-1-(4-methyl-benzyl-idene)thio-semicarbazide.

Project description:In the title compound, C(11)H(15)N(3)S, an intra-molecular N-H?N hydrogen bond generates an S(5) ring. In the crystal, inversion dimers linked by pairs of N-H?S bonds occur, generating an R(2) (2)(8) loop.

| S-EPMC2979434 | biostudies-literature

1-[4-(Dimethyl-amino)benzyl-idene]-4-methyl-thio-semicarbazide.

Project description:In the title compound, C(11)H(16)N(4)S, an intra-molecular N-H?N hydrogen bond generates an S(5) ring. In the crystal, inversion dimers linked by pairs of N-H?S bonds occur, generating an R(2) (2)(8) loop.

| S-EPMC2979619 | biostudies-literature

1-[4-(Di-methyl-amino)-benzyl-idene]-4-o-tolyl-thio-semicarbazide.

Project description:The asymmetric unit of the title compound, C17H20N4S, contains two independent mol-ecules, the main difference between them being the dihedral angles between the benzene rings [19.99 (17) and 9.72 (17)°]. The mol-ecules both have a trans conformation about the C=N double bond and intra-molecular C-H⋯S and N-H⋯N hydrogen bonds are observed in both mol-ecules. In the crystal, mol-ecules are linked by weak N-H⋯S hydrogen bonds with graph-set motif R 2 (2)(8). In each mol-ecule, all but one of the N atoms and both the S atoms are involved in hydrogen bonding.

| S-EPMC3685061 | biostudies-literature

Crystal structure of 2'-hy-droxy-aceto-phenone 4-methyl-thio-semicarbazide.

Project description:In the organic mol-ecule of the title hydrate, C11H15N3OS·H2O, {systematic name: 3-ethyl-1-{(E)-[1-(2-hy-droxy-phen-yl)ethyl-idene]amino}-thio-urea monohydrate}, a dihedral angle of 5.39 (2)° is formed between the hy-droxy-benzene ring and the non-H atoms comprising the side chain (r.m.s. deviation = 0.0625 Å), with the major deviation from planarity noted for the terminal ethyl group [the C-N-C-C torsion angle = -172.17 (13)°]. The N-H H atoms are syn and an intra-molecular hy-droxy-imine O-H⋯N hydrogen bond is noted. In the crystal, the N-bonded H atoms form hydrogen bonds to symmetry-related water mol-ecules, and the latter form donor inter-actions with the hy-droxy O atom and with a hy-droxy-benzene ring, forming a O-H⋯π inter-action. The hydrogen bonding leads to supra-molecular tubes aligned along the b axis. The tubes are connected into layers via C-H⋯O inter-actions, and these stack along the c axis with no directional inter-actions between them.

| S-EPMC4438807 | biostudies-literature

(Thio-cyanato-κN)bis-(thio-semicarbazide-κS)copper(I).

Project description:In the title complex, [Cu(CH(5)N(3)S)(2)(NCS)], the non-H part of the mol-ecule is strictly planar, lying on the mirror plane at y = 0.25. The Cu atom lies at the centre of a triangle formed by the coordination of three monodentate groups, viz. two thio-semicarbazide ligands and one NCS(-) anion. Weak inter-molecular N-H⋯S inter-actions generate a two-dimensional network.

| S-EPMC2961608 | biostudies-literature

1-(2,3,4-Trihydroxy-benzyl-idene)thio-semicarbazide.

Project description:In the title mol-ecule, C(8)H(9)N(3)O(3)S, the thio-semicarbazide =N-NH-C(=S)-NH- fragment is twist a different degree of twist in the three independent mol-ecules [dihedral angles = 7.6?(1), 11.6?(1) and 20.7?(1)°]. Intra-molecular O-H?N and O-H?O hydrogen bonds occur. In the crystal, the hydr-oxy and amino groups are hydrogen-bond donors and the O-H?O, O-H?S and N-H?O hydrogen bonds generate a layer motif.

| S-EPMC2979487 | biostudies-literature

1-Benzyl-idene-4-ethyl-thio-semicarbazide.

Project description:The title compound, C(10)H(13)N(3)S, was prepared by the reaction of 4-ethyl-thio-semicarbazide and benzaldehyde. The dihedral angle between the benzene ring and the thio-urea unit is 8.96 (7)° and an intra-molecular N-H⋯N hydrogen bond generates an S(5) ring. In the crystal, inversion dimers linked by pairs of N-H⋯S hydrogen bonds generate R(2) (2)(8) loops.

| S-EPMC2983406 | biostudies-literature

4-Ethyl-1-[4-(methyl-sulfan-yl)benzyl-idene]thio-semicarbazide.

Project description:There are four independent mol-ecules in the asymmetric unit of the title compound, C(11)H(15)N(3)S(2), with different conformations: the dihedral angles between the benzene rings and thio-urea units are 16.85?(9), 0.56?(10), 8.05?(12) and 4.56?(8)°. Each mol-ecule contains an intra-molecular N-H?N hydrogen bond, generating an S(5) ring. The crystal structure is stabilized by inter-molecular N-H?S hydrogen bonds.

| S-EPMC3006876 | biostudies-other

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