Browse
Submit Data
Databases
API
Help

Dataset Information

10 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-(2-Ethyl-phen-yl)-1-(2-oxoindolin-3-yl-idene)thio-semicarbazide.

ABSTRACT: The title compound, C(17)H(16)N(4)OS, is stabilized in the form of a two-dimensional polymeric network due to inter-molecular N-H?S and N-H?O hydrogen bonds. An intra-molecular N-H?N hydrogen bond forms an S(5) ring, whereas inter-actions of the N-H?O and C-H?S types complete S(6) ring motifs. ?-? inter-actions with a centroid-centroid distance of 3.6514?(10)?Å are found between the ethyl-substituted benzene ring and the heterocyclic ring of the isatin derivative.

SUBMITTER: Pervez H

PROVIDER: S-EPMC3006908 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

4-(2-Ethyl-phen-yl)-1-(2-oxoindolin-3-yl-idene)thio-semicarbazide.

Pervez Humayun H Yaqub Muhammad M Ramzan Muhammad M Tahir M Nawaz MN Iqbal Mohammad S MS

Acta crystallographica. Section E, Structure reports online 20100609 Pt 7

The title compound, C(17)H(16)N(4)OS, is stabilized in the form of a two-dimensional polymeric network due to inter-molecular N-H⋯S and N-H⋯O hydrogen bonds. An intra-molecular N-H⋯N hydrogen bond forms an S(5) ring, whereas inter-actions of the N-H⋯O and C-H⋯S types complete S(6) ring motifs. π-π inter-actions with a centroid-centroid distance of 3.6514 (10) Å are found between the ethyl-substituted benzene ring and the heterocyclic ring of the isatin derivative. ...[more]

PMID: 21587842

Similar Datasets

4-(3-Fluoro-phen-yl)-1-(2-oxoindolin-3-yl-idene)thio-semicarbazide.

Project description:In the title compound, C(15)H(11)FN(4)OS, there are three independent mol-ecules, each with a disordered 3-fluoro-phenyl group [occupancy ratios = 0.547?(17):0.453?(17), 0.645?(5):0.355?(5) and 0.626?(15):0.374?(15)] and displaying dihedral angles of 4.2?(3), 25.2?(6) and 32.4?(5)° between the 2-oxoindoline and fluoro-substituted phenyl rings. Strong intra-molecular N-H?N and N-H?O and weak intra-molecular C-H?S hydrogen bonds complete S(5) and S(6) ring motifs, while strong inter-molecular N-H?O hydrogen bonds inter-connect the three independent mol-ecules through R(3) (3)(12) ring motifs. The three-mol-ecule units are in turn linked into polymeric sheets via C-H?F and C-H?S hydrogen bonds and ?-? inter-actions [centroid-centroid distances in the range 3.520?(2)-3.820?(9)?Å].

| S-EPMC2983261 | biostudies-literature

4-(3-Methoxy-phen-yl)-1-(2-oxoindolin-3-yl-idene)thio-semicarbazide.

Project description:In the title compound, C(16)H(14)N(4)O(2)S, intra-molecular N-H?N hydrogen bonding forms an S(5) ring, whereas N-H?O and C-H?S inter-actions complete S(6) ring motifs. In the crystal, mol-ecules form inversion dimers due to N-H?O inter-actions. The dimers are inter-linked through N-H?S hydrogen bonds and ?-? inter-actions occur with a centroid-centroid distance of 3.8422?(11)?Å between the meth-oxy-containing benzene ring and the five-membered heterocyclic ring.

| S-EPMC2979529 | biostudies-literature

1-[1-(4-Nitro-phen-yl)ethyl-idene]thio-semicarbazide.

Project description:The title compound, C(9)H(10)N(4)O(2)S, was prepared by the reaction of 1-(4-nitro-phen-yl)ethanone and thio-semicarbazide in ethanol at 367?K. There are weak inter-molecular N-H?S and N-H?O hydrogen-bonding inter-actions in the crystal structure involving the amine and nitrile groups, respectively, as donors.

| S-EPMC2960583 | biostudies-literature

(E)-1-[1-(4-Chloro-phen-yl)ethyl-idene]thio-semicarbazide.

Project description:In the crystal structure of the title compound, C(9)H(10)ClN(3)S, the mol-ecules form chains parallel to [001] through N-H?S hydrogen bonds. In addition, weak inter-molecular N-H?Cl hydrogen bonds connect the chains, forming a two-dimensional network parallel to (001).

| S-EPMC3414179 | biostudies-literature

1-(1-Nonyl-2-oxoindolin-3-yl-idene)thio-semicarbazide.

Project description:In the title compound, C(18)H(26)N(4)OS, the imine C=N bond has a Z configuration, whereas the N-N-C=S unit has an E conformation. In the crystal, mol-ecules are connected through N-H?O hydrogen bonds, forming zigzag chains running along the b axis. The nonyl chain adopts an extended zigzag conformation.

| S-EPMC2979500 | biostudies-literature

1-(5-Nitro-2-oxoindolin-3-yl-idene)thio-semicarbazide.

Project description:In the title molecule, C(9)H(7)N(5)O(3)S, there is an intramolecular N-H?O. The molecule is essentially planar, with the maximum deviation from the mean plane of the 18 non-H atoms being 0.135?(2)?Å for the amine N atom. In the crystal, the molecules are connected via intermolecular N-H?O and N-H?S hydrogen bonds, forming two-dimensional networks lying parallel to (10[Formula: see text]). They are separated by an interplanar distance of 3.3214?(9)?Å, leading to ?-? interactions which stabilize the crystal structure.

| S-EPMC3247594 | biostudies-literature

1-(1-Decyl-2-oxoindolin-3-yl-idene)thio-semicarbazide.

Project description:In the title 1-alkyl-isatin 3-thio-semicarbazone, C(19)H(28)N(4)OS, the imine C=N bond has a Z configuration, whereas the N-N-C=S unit has an E conformation. In the crystal, mol-ecules are connected by N-H?O hydrogen bonds, forming zigzag chains running along the b axis.

| S-EPMC2979634 | biostudies-literature

1-(5-Bromo-2-oxoindolin-3-yl-idene)thio-semicarbazide acetonitrile monosolvate.

Project description:In the crystal structure of the title compound, C(9)H(7)BrN(4)OS·C(2)H(3)N, the mol-ecules are connected via N-H?O and N-H?S inter-actions into zigzag chains perpendicular to [001]. The mol-ecules in these chains are additionally linked to acetonitrile solvent mol-ecules through N-H?N hydrogen bonding. The mol-ecules are arranged in layers and are stacked in the direction of the c axis indicative of ?-? inter-actions, with distance = 3.381?(7)?Å for the C?C interaction parallel to [001]. An intra-molecular N-H?O hydrogen bond is also observed in the main mol-ecule.

| S-EPMC3152066 | biostudies-literature

4-(2-Fluoro-phen-yl)-1-(2-oxoindolin-3-yl-idene)thio-semicarbazide.

Project description:The title compound, C(15)H(11)FN(4)OS, is almost planar, the dihedral angle between the aromatic ring systems being 5.00?(13)°. The conformation is stabilized by intra-molecular N-H?N and N-H?O hydrogen bonds, which generate S(5) and S(6) rings, respectively. N-H?F and C-H?S inter-actions also occur. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds occur, generating R(2) (2)(8) loops.

| S-EPMC2979150 | biostudies-other

4-(3-Nitro-phen-yl)-1-(2-oxoindolin-3-yl-idene)thio-semicarbazide.

Project description:In the title compound, C(15)H(11)N(5)O(3)S, intra-molecular N-H?N hydrogen bonding forms an S(5) ring motif, whereas N-H?O and C-H?S inter-actions type complete S(6) ring motifs. The 2-oxoindoline and 3-methoxy-phenyl rings are almost planar, with r.m.s. deviations of 0.0178 and 0.0149?Å, respectively, and form a dihedral angle of 33.59?(3)°. In the crystal, mol-ecules are inter-linked through the nitro groups in an end-to-end fashion via N-H?O and C-H?O inter-actions.

| S-EPMC2979516 | biostudies-other

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