Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Li YF

PROVIDER: S-EPMC2983406 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Li Yu-Feng YF Zhang Yun-Cheng YC

Acta crystallographica. Section E, Structure reports online 20100930 Pt 10

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. ...[more]

PMID: 21587654

Similar Datasets

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

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-(3,4-Dimethyl-benzyl-idene)-4-ethyl-thio-semicarbazide.

Project description:The title compound, C(12)H(17)N(3)S, was prepared by the reaction of 4-ethyl-thio-semicarbazide and 3,4-dimethyl-benzaldehyde. The dihedral angle between the thiourea unit and the benzene ring is 7.09 (8)°. In the crystal, inversion dimers linked by pairs of N-H⋯S hydrogen bonds occur.

| S-EPMC2983114 | biostudies-literature

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

Project description:The title compound, C(10)H(11)Cl(2)N(3)S, was prepared by the reaction of 4-ethyl-thio-semicarbazide and 2,4-dichloro-benzaldehyde. It is approximately planar, the dihedral angle between the benzene ring and the thio-urea unit being 8.43 (18)°. In the crystal, inversion dimers linked by pairs of N-H⋯S hydrogen bonds generate R(2) (2)(8) loops.

| S-EPMC2983246 | biostudies-literature

4-Ethyl-1-(4-meth-oxy-benzyl-idene)thio-semicarbazide.

Project description:In the title compound, C(11)H(15)N(3)OS, the dihedral angle between the aromatic ring and the thio-urea unit is 4.28 (7)° and an intra-molecular N-H⋯N hydrogen bond generates an S(5) ring. In the crystal, mol-ecules are linked into (001) sheets by N-H⋯S hydrogen bonds.

| S-EPMC3007044 | biostudies-literature

(E)-1-(2,4,6-Trihy-droxy-benzyl-idene)-4-ethyl-thio-semicarbazide dihydrate.

Project description:In the title mol-ecule, C(10)H(13)N(3)O(3)S·2H(2)O, the thio-semi-carbazide =N-NH-C(=S)-NH- fragment [torsion angle = 0.2 (1)°] is nearly coplanar with the benzene ring [dihedral angle = 2.4 (1)°]. The benzene ring and semicarbazide moiety are located on opposite sites of the C=N bond, showing an E configuration. The hy-droxy, imino and water H atoms are engaged in extensive hydrogen bonding, forming a three-dimensional network.

| S-EPMC3007985 | 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

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

Project description:In the title mol-ecule, C(10)H(14)N(4)S, the thio-rea plane and benzene ring form a dihedral angle of 16.0?(3)?Å. In the crystal structure, inter-molecular N-H?S hydrogen bonds link the mol-ecules into ribbons extended in the [100] direction; these incorporate inversion dimers.

| S-EPMC2968255 | 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