Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(tert-But-yl)(2-hy-droxy-eth-yl)ammonium chloride.

ABSTRACT: In the cation of the title mol-ecular salt, C6H16NO(+)·Cl(-), the N-C-C-O torsion angle is 176.5?(2)°. In the crystal, the cations and chloride ions are linked by N-H?O and O-H?O hydrogen bonds, generating a two-dimensional network parallel to (100).

SUBMITTER: Valerio-Cardenas C

PROVIDER: S-EPMC4120598 | biostudies-literature | 2014 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(tert-But-yl)(2-hy-droxy-eth-yl)ammonium chloride.

Valerio-Cárdenas Cintya C Hernández-Ortega Simón S Morales-Morales David D

Acta crystallographica. Section E, Structure reports online 20140618 Pt 7

In the cation of the title mol-ecular salt, C6H16NO(+)·Cl(-), the N-C-C-O torsion angle is 176.5 (2)°. In the crystal, the cations and chloride ions are linked by N-H⋯O and O-H⋯O hydrogen bonds, generating a two-dimensional network parallel to (100). ...[more]

PMID: 25161569

Similar Datasets

Bis(2-hy-droxy-eth-yl)ammonium picrate.

Project description:The asymmetric unit of the title salt, C4H12NO2 (+)·C6H2N3O7 (-), contain two bis-(2-hy-droxy-eth-yl)ammonium cations and two picrate anions. An intra-molecular N-H?O hydrogen bond occurs in each cation. In the crystal, mol-ecules are linked via O-H?O and N-H?O hydrogen bonds, which generate two R 2 (1)(6), an R 2 (2)(10) and an R 2 (2)(13) graph-set ring motifs. There are also a number of C-H?O hydrogen bonds present. The sum of these inter-actions leads to the formation a three-dimensional structure.

| S-EPMC3884432 | biostudies-literature

[2-(2-Chloro-phen-yl)-2-hy-droxy-eth-yl](isoprop-yl)ammonium 4-hy-droxy-benzoate.

Project description:The title molecular salt, C(11)H(17)ClNO(+)·C(7)H(5)O(3) (-), was obtained by the reaction of racemic clorprenaline and 4-hy-droxy-benzoic acid. In the crystal, the components are connected by O-H⋯O and N-H⋯O hydrogen bonds, resulting in a two-dimensional hydrogen-bonded network.

| S-EPMC3050334 | biostudies-literature

(2-Hy-droxy-eth-yl)triphenyl-phospho-nium chloride.

Project description:In the crystal structure of the title compound, C(20)H(20)OP(+)·Cl(-), the cations and anions are linked by inter-molecular C-H⋯Cl and O-H⋯Cl hydrogen bonds into chains running parallel to the b axis. In the cation, the hy-droxy-ethyl group is disordered over two orientations with site-occupancy factors of 0.554 (4) and 0.446 (4).

| S-EPMC3051953 | biostudies-literature

Bis-(2-hy-droxy-eth-yl)ammonium 2-bromo-phenolate.

Project description:In the crystal structure of the 1:1 title salt, C(4)H(12)NO(2) (+)·C(6)H(4)BrO(-), hydrogen-bonding inter-actions originate from the ammonium cation, which adopts a syn conformation. A gauche relationship between the C-O and C-N bonds of the 2-hy-droxy-ethyl fragments also facilitates O-H⋯O inter-actions of bis-(2-hy-droxy-eth-yl)ammonium cation chains to phenolate O atoms. The resulting double-ion chains along [100] are further linked by N-H⋯O inter-actions, forming chains parallel to [110].

| S-EPMC3435641 | biostudies-literature

2-Hy-droxy-N-(2-hy-droxy-eth-yl)benzamide.

Project description:In the title compound, C(9)H(11)NO(3), a derivative of salicyl-amide, the intra-cyclic C-C-C angles span the range 117.96?(13)-121.56?(14)°. An intra-molecular O-H?O hydro-gen bond occurs. In the crystal, inter-molecular O-H?O and N-H?O hydrogen bonds occur and C-H?O contacts connect the mol-ecules into a three-dimensional network. The closest inter-centroid distance between two ?-systems is 3.8809?(10)?Å.

| S-EPMC3213558 | biostudies-literature

tert-Butyl N-((1S)-2-hy-droxy-1-{N'-[(E)-2-hy-droxy-4-meth-oxy-benzyl-idene]hydrazinecarbon-yl}eth-yl)carbamate.

Project description:The mol-ecule of the title compound, C(16)H(23)N(3)O(6), is twisted about the chiral C atom with the dihedral angle formed between the amide residues being 76.9?(3)°. Overall, the mol-ecule is curved with the terminal organic groups lying to the same side. The conformation about the imine bond [1.291?(5)?Å] is E and an intra-molecular O-H?N hydrogen bond generates an S(6) ring. In the crystal, O-H?O and N-H?O hydrogen bonds involving the hy-droxy, amine and carbonyl groups lead to the formation of supra-molecular layers, which stack along the c-axis direction.

| S-EPMC3212283 | biostudies-literature

Bis{(E)-3-[(2-hy-droxy-benzyl-idene)amino]-prop-yl}ammonium chloride.

Project description:The title salt, C20H26N3O2(+)·Cl(-), lies across a twofold crystallographic axis with the central N atom of the cation and the chloride anion sitting on this axis, Z' = 0.5. There is an intra-molecular hydrogen bond between the hy-droxy H atom and the imino N atom. The chloride anion and the cation are connected into chains along the a axis by an N-H⋯Cl hydrogen bond. In the crystal, the chains are linked via C-H⋯Cl interactions forming two-dimensional networks lying parallel to (101).

| S-EPMC3588923 | biostudies-literature

tert-Butyl N-{(1S)-1-[(2,4-dihy-droxy-benzyl-idene)hydrazinecarbon-yl]-2-hy-droxy-eth-yl}carbamate ethanol monosolvate.

Project description:The mol-ecule of the title ethanol solvate, C(15)H(21)N(3)O(6)·C(2)H(6)O, adopts a curved shape; the conformation about the imine bond [N=N = 1.287 (3) Å] is E. The amide residues occupy positions almost orthogonal to each other [dihedral angle = 85.7 (2)°]. In the crystal, a network of O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds leads to the formation of supra-molecular arrays in the ab plane with the ethanol mol-ecules lying to the periphery on either side. Disorder in the solvent ethanol mol-ecule was evident with two positions being resolved for the C atoms [site occupancy of the major component = 0.612 (10)].

| S-EPMC3052090 | biostudies-literature

Crystal structure of <i>rac</i>-4-[2-(<i>tert</i>-butyl-aza-nium-yl)-1-hy-droxy-eth-yl]-2-(hy-droxy-meth-yl)phenol benzoate.

Project description:The title salt, C13H22NO3+·C7H5O2-, comprises one salbutamol cation {sys-tematic name: 4-[2-(tert-butyl-aza-nium-yl)-1-hy-droxy-eth-yl]-2-(hy-droxy-meth-yl)phenol} and a benzoate anion. The cation shows disorder of the hy-droxy group [occupancy ratio 0.738?(3):0.262?(3)] at the stereogenic C atom. The non-planar benzoate anion [the dihedral angle between the benzene ring and the carboxyl group is 11.30?(8)°] is linked to the salbutamol cation by a medium-strength O-H?O hydrogen bond. Other inter-molecular O-H?O and N-H?O hydrogen bonds of weaker nature give rise to [001] chains.

| S-EPMC5588574 | biostudies-literature

Di-n-butyl-ammonium 2-[(3,5-di-tert-butyl-4-hy-droxy-benz-yl)sulfan-yl]benzoate.

Project description:The title salt, C(8)H(20)N(+)·C(22)H(27)O(3)S(-), is a proton-transfer compound derived from the recently reported parent carb-oxy-lic acid [Alhadi et al. (2010). Acta Cryst. E66, o1787] by the addition of a second equivalent of di-n-butyl-amine, yielding the di-n-butyl-ammonium carboxyl-ate salt. The structure of the carboxyl-ate anion resembles that of the parent carb-oxy-lic acid. The main difference lies in the position of the H atom in the 4-hy-droxy group. In the anion the O-H bond is perpendicular, rather than parallel, to the benzyl ring. This position appears to facilitate hydrogen bonding to an O atom of the carboxyl-ate group of a symmetry-related anion. In addition, there are three N-H⋯O hydrogen bonds. In contrast, the neutral species hydrogen bonds via a carboxylic acid dimer. The dihedral angle between the benzene rings in the anion is 79.19 (7)°.

| S-EPMC3007956 | 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