Browse
Submit Data
Databases
API
Help

Dataset Information

27 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Nagapandiselvi P

PROVIDER: S-EPMC3884432 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Nagapandiselvi Perumal P Gopalakrishnan Rengasamy R

Acta crystallographica. Section E, Structure reports online 20130821 Pt 9

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 str ...[more]

PMID: 24427081

Similar Datasets

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

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

Project description: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).

| S-EPMC4120598 | 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

Bis{N-[2-hy-droxy-1,1-bis-(hy-droxy-methyl)eth-yl]glycinato-?(3) O,N,O'}iron(II).

Project description:In the title compound, [Fe(C6H12NO5)2], the Fe(II) ion lies on an inversion center and is coordinated by two N atoms and four O atoms from two tridentate N-[2-hy-droxy-1,1-bis-(hy-droxy-methyl)eth-yl]glycine ligands, forming a slightly distorted octa-hedral coordination environment. In the crystal, O-H?O, O-H?N and weak C-H?O hydrogen bonds link mol-ecules, forming a three-dimensional network.

| S-EPMC4120612 | 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

Tetra-ethyl-ammonium 2-[bis-(4-hy-droxy-phen-yl)meth-yl]benzoate.

Project description:In the title compound, C(8)H(20)N(+)·C(20)H(15)O(4) (-), the benzoate anions are connected by multiple inter-molecular O-H⋯O hydrogen bonds, forming columns propagating along [1[Formula: see text]0]. The hydrogen bonding can be described by two rings with R(2) (2)(22) and R(4) (2)(28) motifs. In the crystal, the tetra-ethyl-ammonium cations are situated between these columns and are linked to them via C-H⋯O inter-actions.

| S-EPMC3238821 | biostudies-literature

N,N-Bis(2-hy-droxy-eth-yl)-4-methyl-benzene-sulfonamide.

Project description:In the title compound C(11)H(17)NO(4)S, an intra-molecular O-H?O hydrogen bond forms an S(8) ring and determines the conformation of the bis-(2-hy-droxy-eth-yl) segment of the mol-ecule, holding the two CH(2)CH(2)OH groups close to coplanar (r.m.s. deviation = 0.185?Å). In the crystal, O-H?O hydrogen bonds link the mol-ecules into zigzag chains along the b axis. Weaker additional C-H?O and C-H?? contacts generate a three dimensional network, with mol-ecules stacked along the b-axis direction.

| S-EPMC3515243 | biostudies-literature

Bis{2-[bis-(2-hy-droxy-eth-yl)amino]-acetato-κO,N,O'}zinc(II).

Project description:In the crystal structure of the zinc(II) complex of bicine, [Zn(C(6)H(12)NO(4))(2)], the deprotonated amino acid O,N,O'-chelates to the metal atom through a carboxyl-ate O atom, a hy-droxy O atom and the N atom, the three atoms occupying fac positions of the distorted octa-hedron surrounding the metal atom. The metal atom lies on a center of inversion. The uncoordinated carboxyl-ate O atom is hydrogen bonded to the hy-droxy groups of adjacent mol-ecules, these two hydrogen bonds leading to the formation of a three-dimensional network.

| S-EPMC3008976 | biostudies-literature

4-[(E)-({4-[Bis-(2-hy-droxy-eth-yl)amino]-phen-yl}imino)-meth-yl]phenol.

Project description:In the title compound, C(17)H(20)N(2)O(3), the amino N atom is in a planar environment (sum of angles = 360.0°). All hy-droxy H atoms are involved in hydrogen bonding. In the crystal structure, two O-H?O and an O-H?N(imino) hydrogen bond result in the formation of a three-dimensional network. The latter hydrogen bonding causes distortion of the planarity of the 4-HO-C(6)H(4)-CH=N-C(6)H(4)- fragment by rotation around the =N-C(Ph) bond. The crystal studied was a non-merohedral twin [refined BASF parameter for the major component = 0.5293?(7)].

| S-EPMC3006715 | 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

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