Browse
Submit Data
Databases
API
Help

Dataset Information

4 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Indole-3-thio-uronium nitrate.

ABSTRACT: In the title compound, C(9)H(10)N(3)S(+)·NO(3) (-), the indole ring system and the thiouronium group are nearly perpendicular, with a dihedral angle of 88.62?(6)°. Hydrogen bonding generates two-dimensional networks which are linked to each other via ? stacking inter-actions of the indole groups [average inter-planar ring-ring distance of 3.449?(2)?Å].

SUBMITTER: Lutz M

PROVIDER: S-EPMC2915257 | biostudies-other | 2007

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Indole-3-thio-uronium nitrate.

Lutz Martin M Spek Anthony L AL van der Geer Erwin P L EP van Koten Gerard G Klein Gebbink Robertus J M RJ

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

In the title compound, C(9)H(10)N(3)S(+)·NO(3) (-), the indole ring system and the thiouronium group are nearly perpendicular, with a dihedral angle of 88.62 (6)°. Hydrogen bonding generates two-dimensional networks which are linked to each other via π stacking inter-actions of the indole groups [average inter-planar ring-ring distance of 3.449 (2) Å]. ...[more]

PMID: 21200759

Similar Datasets

Indole-3-thio-uronium iodide.

Project description:In the title compound, C(9)H(10)N(3)S(+)·I(-), the indole ring system and the thiouronium group are essentially perpendicular, with a dihedral angle of 89.87?(8)°. By inter-molecular hydrogen bonding, a three-dimensional network is formed, which is additionally supported by inter-molecular C-H?? inter-actions.

| S-EPMC2915258 | biostudies-literature

1H-Indole-3-carbaldehyde thio-semi-carbazone.

Project description:The mol-ecules of the title compound, C(10)H(10)N(4)S, are linked by N-H(indole)?S hydrogen bonds to form a linear hydrogen-bonded chain. There are two independent mol-ecules in the asymmetric unit.

| S-EPMC2961326 | biostudies-literature

5-Bromo-1H-indole-3-carbaldehyde thio-semicarbazone.

Project description:In the essentially planar title mol-ecule, C(10)H(9)BrN(4)S, the C=N double bond is in a trans configuration. In the crystal structure, the S atom acts as a hydrogen-bond acceptor for the aromatic NH, aliphatic NH and terminal NH(2) groups of three symmetry-related mol-ecules, forming a weak hydrogen-bonded layer structure.

| S-EPMC2961179 | biostudies-literature

Hexa-kis-(thio-urea-?S)nickel(II) nitrate: a redetermination.

Project description:A preliminary X-ray study of the title mol-ecular salt, [Ni(CH(4)N(2)S)(6)](NO(3))(2), has been reported twice previously, by Ma?ar [Acta Cryst. (1961), 14, 894] and Rodriguez, Cubero, Vega, Morente & Vazquez [Acta Cryst. (1961), 14, 1101], using film methods. We confirm the previous studies, but to modern standards of precision and with all H atoms located. The central Ni atom (site symmetry ) of the dication is octa-hedrally coordinated by six S-bound thio-urea mol-ecules. The crystal structure is stabilized by intra- and inter-molecular N-H?S and N-H?O hydrogen bonds.

| S-EPMC3007420 | biostudies-literature

Hexa-kis-(N,N'-dimethyl-thio-urea-?S)nickel(II) nitrate.

Project description:The title complex salt, [Ni(C(3)H(8)N(2)S)(6)](NO(3))(2), consists of an [Ni(Dmtu)(6)](2+) (Dmtu is N,N'-dimethyl-thio-urea) dication and two nitrate counter-anions. The Ni(II) atom (site symmetry ) is coordinated by the S atoms of six Dmtu ligands within a slightly distorted octa-hedral environment. The crystal structure is characterized by weak intra-molecular N-H?S inter-actions and by inter-molecular N-H?O hydrogen bonds involving the nitrate anion (site symmetry 3.). These inter-molecular inter-actions lead to the formation of two-dimensional networks lying parallel to the ab plane. The networks are linked via non-classical inter-molecular C-H?O hydrogen bonds, forming a three-dimensional arrangement.

| S-EPMC3009254 | biostudies-literature

trans-Bis(1H-indole-3-carbaldehyde thio-semicarbazonato-?N,S)nickel(II).

Project description:The Ni atom in the centrosymmetric title compound, [Ni(C(10)H(9)N(4)S)(2)], is N,S-chelated by the deprotonated Schiff bases in a square-planar geometry. The -CH=N-N=C(S)-NH(2) frament is planar. Adjacent mol-ecules are linked by hydrogen bonds between the indolyl -NH (donor) site and the double-bond =N- (acceptor) site of an adjacent mol-ecule, forming a layer motif.

| S-EPMC2961409 | biostudies-literature

(N-Phenyl-thio-urea-?S)bis-(tri-phenylphosphane-?P)silver(I) nitrate.

Project description:In the title salt, [Ag(C7H8N2S)(C18H15P)2]NO3, the coordination geometry about the Ag(I) atom is shallow trigonal pyramidal, with the metal atom displaced by 0.372?(1)?Å from the plane of the P and S atoms. In the crystal, the cations are linked to the anions by N-H?O hydrogen bonds, generating tetra-mers (two cations and two anions), which feature R 2 (2)(8) and R 4 (4)(8) loops. The cations are linked by weak C-H?? inter-actions, generating a three-dimensional network.

| S-EPMC4120613 | biostudies-literature

Crystal structure of bis-(thio-urea-?S)bis-(tri-phenylphosphane-?P)silver(I) nitrate.

Project description:In the title salt, [Ag(CH4N2S)2(PPh3)2]NO3, the Ag(I) atom is coordinated by two thio-urea S atoms and two tri-phenyl-phosphane P atoms in a distorted tetra-hedral geometry, with bond angles in the range 102.90?(4)-123.29?(4)°. The Ag-S=C bond angles are 101.75?(19) and 111.29?(18)°. In the crystal, the component ions are linked by C-H?O, C-H?S, N-H?O and N-H?S hydrogen bonds, generating (10-1) sheets.

| S-EPMC4384606 | biostudies-literature

Poly[[?(3)-chlorido-bis(?(2)-thio-urea-?S)disilver(I)] nitrate].

Project description:The mol-ecular structure of the title polymeric complex, {[Ag(2)Cl(CH(4)N(2)S)(2)]NO(3)}(n), consists of a binuclear cationic complex and a nitrate counter-ion. The cationic complex contains two bridging thio-urea (Tu) ligands and a triply bridging ?(3)-Cl anion. The latter is probably released from 2-amino-ethane-thiol hydro-chloride during the synthesis. The coordination environment around the two Ag(I) atoms is different; one is trigonal planar, being coordinated by two thio-urea ligands through the S atoms and to one Cl(-) ion, while in the other the Ag(I) atom is tetra-hedrally coordinated by two thio-urea ligands through the S atoms and to two Cl(-) ions. These units aggregate through the Cl(-) anion and the Tu S atoms, forming a chain propagating in [100]. In the crystal structure, the polymeric chains are linked via N-H?O and N-H?Cl hydrogen bonds, forming a double layer two-dimensional network propagating in (011).

| S-EPMC3008121 | biostudies-other

N-Naphthoyl-substituted indole thio-barbituric acid analogs inhibit the helicase activity of the hepatitis C virus NS3.

Project description:The hepatitis C virus (HCV) represents a substantial threat to human health worldwide. The virus expresses a dual-function protein, NS3 having both protease and RNA helicase activities that are essential for productive viral replication and sustained infections. While viral protease and polymerase inhibitors have shown great successes in treating chronic HCV infections, drugs that specifically target the helicase activity have not advanced. A robust and quantitative 96-well plate-based fluorescent DNA unwinding assay was used to screen a class of indole thio-barbituric acid (ITBA) analogs using the full-length, recombinant HCV NS3, and identified three naphthoyl-containing analogs that efficiently inhibited NS3 helicase activity in a dose-dependent manner, with observed IC50 values of 21-24?µM. Standard gel electrophoresis helicase assays using radiolabeled duplex DNA and RNA NS3 substrates confirmed the inhibition of NS3 unwinding activity. Subsequent anisotropy measurements demonstrated that the candidate compounds did not disrupt NS3 binding to nucleic acids. Additionally, the rate of ATP hydrolysis and the protease activity were also not affected by the inhibitors. Thus, these results indicate that the three ITBA analogs containing N-naphthoyl moieties are the foundation of a potential series of small molecules capable of inhibiting NS3 activity via a novel interaction with the helicase domain that prevents the productive unwinding of nucleic acid substrates, and may represent the basis for a new class of therapeutic agents with the potential to aid in the treatment and eradication of hepatitis C virus.

| S-EPMC6377802 | biostudies-literature

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