Browse
Submit Data
Databases
API
Help

Dataset Information

0 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 π 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-literature | 2007 Dec

REPOSITORIES: biostudies-literature

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⋯π inter-actions.

| S-EPMC2915258 | biostudies-literature

S-Benzyl-isothio-uronium nitrate.

Project description:In the crystal structure of the title compound, C(8)H(11)N(2)S(+)·NO(3) (-), cations and anions are linked by inter-molecular N-H?O hydrogen bonds, forming one-dimensional chains along [110].

| S-EPMC2960628 | biostudies-literature

S-Benzyl-thio-uronium 3-nitro-benzene-sulfonate.

Project description:In the title compound, C(8)H(11)N(2)S(+)·C(6)H(4)NO(5)S(-), the asymmetric unit is composed of two crystallographically independent S-benzyl-thio-uronium cations and two independent nitro-benzene-sulfonate anions. An intra-molecular hydrogen bond generates an S(5)S(5) ring motif. The crystal packing is stabilized by intra-molecular C-H⋯O and inter-molecular C-H⋯O, N-H⋯O and N-H⋯S hydrogen bonds which, along with short S⋯O [3.034 (2) Å] and N⋯O [2.796 (3) Å] contacts, form a two-dimensional network parallel to the ab plane.

| S-EPMC2961859 | biostudies-literature

(3RS)-S-[1-(3-Chloro-phen-yl)-2-oxopyr-roli-din-3-yl]thio-uronium bromide.

Project description:In the title molecular salt, C(11)H(13)ClN(3)OS(+)·Br(-), the C-N bond lengths in the -S-C(NH(2))(2) fragment indicate partial double-bond character of these bonds. The constituent ions are connected by N-H⋯Br bridges into Z-shaped chains. The supra-molecular architecture of the structure can be described by being composed of these chains inter-locked by additional C-H⋯Br short contacts. An intra-molecular N-H⋯O=C bridge, as well as weak C-H⋯O hydrogen bonds, are also present in the structure.

| S-EPMC2968325 | 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

Synthesis and crystal structure of (<i>E</i>)-2-benzyl-1,3-di-phenyl-iso-thio-uronium iodide.

Project description:In the title mol-ecular salt, C20H19N2S+·I-, prepared by the reaction of 1,3-di-phenyl-thio-urea and benzyl iodide, the C-S-C thio-ether bond angle is 101.66 (9)° and electrons are delocalized over the N+= C-N skeleton. The dihedral angle between the aromatic rings attached to the N atoms is 40.60 (9)°. In the crystal, N-H⋯I hydrogen bonds link the components into [100] chains.

| S-EPMC8739197 | 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

(3RS)-S-[1-(3-Chloro-phen-yl)-2-oxopyr-rolidin-3-yl]-N,N'-dimethyl-thio-uronium bromide.

Project description:The title mol-ecule, C(13)H(17)ClN(3)OS(+)·Br(-), consists of benzene and pyrrolidine rings and an S-C(NHCH(3))(2) group. The central C-N bond lengths in the S-C(NHCH(3))(2) fragment indicate partial double-bond character. Mol-ecules are inter-connected into chains by N-H⋯Br hydrogen bonds and the chains are linked into pairs by weak C-H⋯Br hydrogen bonds.

| S-EPMC2968153 | biostudies-literature

Hexa-kis-(thio-urea-κS)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 Maďar [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-κS)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

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