Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Li R

PROVIDER: S-EPMC3011564 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Li Rongchun R

Acta crystallographica. Section E, Structure reports online 20101127 Pt 12

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. ...[more]

PMID: 21589600

Similar Datasets

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

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

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

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

1-(Biphenyl-4-ylmethyl-idene)thio-semicarbazide monohydrate.

Project description:In the title compound, C(14)H(13)N(3)S·H(2)O, the thio-semicarbazide group is nearly planar, with a maximum deviation of 0.072?(2)?Å from the ideal least-squares plane, and shows an E conformation. In the crystal packing, the water mol-ecules are involved in an extensive inter-molecular N-H?O hydrogen-bond network, assisted by O-H?S inter-actions, which link the independent mol-ecules into chains extended along b axis. An intra-molecular hydrogen N-H?N bond helps to stabilize the mol-ecular conformation.

| S-EPMC2979168 | biostudies-literature

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

Project description: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.

| S-EPMC3009006 | biostudies-literature

1-(4-Chloro-benzyl-idene)-4-ethyl-thio-semicarbazide.

Project description:In the title compound, C(10)H(12)ClN(3)S, the dihedral angle between the benzene ring and the thio-urea unit is 2.35?(19)°. In the crystal, inversion dimers linked by pairs of N-H?S hydrogen bonds generate R(2) (2)(8) loops.

| S-EPMC3011671 | biostudies-literature

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

Project description:In the title mol-ecule, C(10)H(13)N(3)O(3)S, the thio-semicarbazide =N-NH-C(=S)-NH- fragment is twisted with respect to the aromatic ring [dihedral angle = 20.5?(1)°]. A weak N-H?S hydrogen bond [3.480?(1)?Å] links two mol-ecules about a center of inversion to generate a ring. The hydr-oxy groups are engaged in inter-molecular hydrogen bonding; the O-H?O and O-H?S hydrogen bonds generate a layer motif.

| S-EPMC2979131 | 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