Browse
Submit Data
Databases
API
Help

Dataset Information

18 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Tris[2-(2-thienyl-methyl-amino)-eth-yl]ammonium triiodide.

ABSTRACT: In the title compound, C(21)H(33)N(4)S(3) (3+)·3I(-), three secondary amines are protonated, while the central amine remains unprotonated. One thio-phene is disordered with an occupancy ratio of 0.868?(6)/0.132?(6). Each protonated amine is involved in N-H?I hydrogen-bonding inter-actions with the iodide anions.

SUBMITTER: Is?klan M

PROVIDER: S-EPMC3009322 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Tris[2-(2-thienyl-methyl-amino)-eth-yl]ammonium triiodide.

Işıklan Muhammet M Fronczek Frank R FR Hossain Md Alamgir MA

Acta crystallographica. Section E, Structure reports online 20101009 Pt 11

In the title compound, C(21)H(33)N(4)S(3) (3+)·3I(-), three secondary amines are protonated, while the central amine remains unprotonated. One thio-phene is disordered with an occupancy ratio of 0.868 (6)/0.132 (6). Each protonated amine is involved in N-H⋯I hydrogen-bonding inter-actions with the iodide anions. ...[more]

PMID: 21588959

Similar Datasets

Benzyl-tris-[2-(di-benzyl-amino)-eth-yl]ammonium iodide.

Project description:In the title quaternary ammonium salt, C55H61N4 (+)·I(-), all three N,N-di-benzyl-ethanamine, -(CH2)2N(CH2C6H5)2, groups have different conformations. The N-C-C-N torsion angles are significantly different [89.86?(13), 162.61?(10) and 175.70?(10)°] and the dihedral angles between the phenyl rings in these groups are different as well [58.21?(4), 43.73?(4) and 76.72?(5)°]. In the crystal, the I(-) anions fill empty spaces between the bulky cations. The cations and anions are linked by weak C-H?I inter-actions, forming a chain along [110].

| S-EPMC3914047 | biostudies-literature

Tris{2-[(3-thien-yl)methyl-idene-amino]-eth-yl}amine.

Project description:The title compound, C(21)H(24)N(4)S(3), is a tripodal Schiff base that was obtained from the reaction of tris-(2-amino-eth-yl)amine (tren) and thio-phene-3-carbaldehyde. The compound forms a cavity with approximate C3 symmetry. One of the thio-phene units is disordered in a 0.764 (2):0.236 (2) ratio. In the crystal, the three thio-phene ligands are involved in intra-molecular C-H⋯π inter-actions and the mol-ecules are connected by C-H⋯N inter-actions, forming hydrogen-bonded chains.

| S-EPMC3009092 | biostudies-literature

Tris(2-benzamido-eth-yl)ammonium tetra-fluoro-borate.

Project description:In the title compound, C(27)H(31)N(4)O(3) (+)·BF(4) (-), the central N atom is protonated. The three arms form a pocket and one amidic O atom accepts an inter-molecular hydrogen bond with the protonated amine. The tetra-fluoro-borate anion is outside the cavity and is hydrogen bonded to one amide N atom. Adjacent organic cations are connected by a pair of N-H⋯O hydrogen bonds, forming a chain.

| S-EPMC3006998 | biostudies-literature

Tris{2-[(2,6-dimethyl-phen-yl)amino]-eth-yl}amine.

Project description:The title compound, C(30)H(42)N(4), is an aryl-ated tris-(amino-eth-yl)amine derivative which was obtained by reducing the corresponding tris-amide with AlH(3). The asymmetric unit consists of one third of a C(3v)-symmetric mol-ecule with the tertiary N atom lying on a crystallographic threefold axis.

| S-EPMC3239057 | biostudies-literature

Tris[2-(2-pyridylsulfan-yl)eth-yl]ammonium perchlorate.

Project description:In the title molecular salt, C(21)H(25)N(4)S(3) (+)·ClO(4) (-), an intra-molecular N-H?N hydrogen bond stabilizes the conformation of the cation. The three N-C-C-S torsion angles are 91.7?(2), 100.9?(2) and 167.02?(14)°.

| S-EPMC2980172 | biostudies-other

{Tris[2-(imidazol-2-ylmethyl-imino)eth-yl]methyl-ammonium}iron(II) tris-(per-chlorate) dihydrate.

Project description:The title complex, [Fe(C(19)H(27)N(10))](ClO(4))(3)·2H(2)O, is a new polymorph of an iron(II) Schiff base complex of tris-(2-amino-ethyl)methyl-ammonium with imidazole-2-carboxaldehyde. The octa-hedral Fe(II) atom is bound to three facial imidazole N atoms with average Fe-N(imidazole) and Fe-N(imine) bond distances of 1.963?(5) and 1.951?(5)?Å, respectively. The central N atom of the tripodal ligand is outside the bonding distance at 3.92?Å. The crystal packing is stabilized by the hydrogen-bonding inter-actions between the two water mol-ecules (acceptor) and two of the three imidazole NH groups (donor). The third imidazole NH group (donor) forms a hydrogen bond to one of the three perchlorate counter-ions (acceptor).

| S-EPMC2914885 | biostudies-other

Tetra-butyl-ammonium tris-(methyl-sulfanylmeth-yl)phenyl-borate.

Project description:In the title molecular salt, C(16)H(36)N(+)·C(12)H(20)BS(3) (-), three of the four n-butyl chains show a trans conformation, whereas the fourth has the C-C-C-C torsion angle in a gauche conformation [-77.8?(5)°]. In the crystal, mol-ecules are packed in layers parallel to the (101) plane.

| S-EPMC2980150 | biostudies-literature

?(3)-Chlorido-tris-(bis-{1-[2-(dimethyl-amino)-eth-yl]-3-methyl-imidazol-2-yl-idene}silver(I)) dichloride.

Project description:In the crystal structure of the title compound, [Ag(3)Cl(C(8)H(15)N(3))(6)]Cl(2), the Ag(I) ion, which is located on a twofold rotation axis, exists in a T-shape coordination environment. Two carbene C atoms of the N-heterocyclic carbene (NHC) ligands are bonded tightly forming a slightly bent [Ag(NHC)(2)](+) cation [C-Ag-C angle = 162.80?(18)°]. Three of these complex cations are further aggregated by one bridging chloride anion, which is lying on a threefold rotoinversion axis and is only loosely binding to the Ag(+) ions. The N atom of the amine group is not engaged in any coordinative bond.

| S-EPMC3297232 | biostudies-literature

(E)-2-[4-(Dimethyl-amino)-styr-yl]-1-methyl-pyridinium triiodide.

Project description:The asymmetric unit of the title compound, C(16)H(19)N(2) (+)·I(3) (-), contains a (E)-2-[4-(dimethyl-amino)-styr-yl)-1-methyl-pyrid-in-ium cation and half each of two triiodide anions. The complete triiodide anions are each generated by inversion symmetry. The planar cation has all of its eighteen non-H atoms situated on a mirror plane. In the crystal, the cations are stacked along the b axis by ?-? inter-actions with a centroid-centroid distance of 3.5757?(13)?Å. The triiodide anions are located between the cations. The crystal structure is further consolidated by short C?C [3.322?(9)-3.3952?(19)?Å] contacts.

| S-EPMC3213589 | biostudies-literature

Crystal structure of (2-chloro-eth-yl)[2-(methyl-sulfan-yl)benz-yl]ammonium chloride.

Project description:In the title mol-ecular salt, C10H15ClNS(+)·Cl(-), the cation is [R'R"NH2](+), where R' is 2-MeS-C6H4CH2- and R" is -CH2CH2Cl, and the anion is Cl(-). In the cation, the N atom is protonated with sp (3)-hybridization and with a tetra-hedral geometry. In the crystal, the anions are connected to the cations through two pairs of N-H?Cl hydrogen bonds, generating a four-centred inversion dimer with an R 4 (2)(8) ring motif.

| S-EPMC4459316 | 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