Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis(3-carboxy-anilinum) bis-(perchlorate) monohydrate.

ABSTRACT: In the structure of the title compound, 2C(7)H(8)NO(2) (+)·2ClO(4) (-)·H(2)O, the ions are connected via N-H?O, N-H?(O,O), O-H?O, O-H?(O,O) and C-H?O hydrogen bonds into a three-dimensional network.

SUBMITTER: Bendjeddou L

PROVIDER: S-EPMC2977409 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis(3-carboxy-anilinum) bis-(perchlorate) monohydrate.

Bendjeddou Lamia L Cherouana Aouatef A Hadjadj Nasreddine N Dahaoui Slimane S Lecomte Claude C

Acta crystallographica. Section E, Structure reports online 20090704 Pt 8

In the structure of the title compound, 2C(7)H(8)NO(2) (+)·2ClO(4) (-)·H(2)O, the ions are connected via N-H⋯O, N-H⋯(O,O), O-H⋯O, O-H⋯(O,O) and C-H⋯O hydrogen bonds into a three-dimensional network. ...[more]

PMID: 21583479

Similar Datasets

Bis(2-carboxy-anilinium) sulfate monohydrate.

Project description:In the title hydrated mol-ecular salt, 2C(7)H(8)NO(2) (+)·SO(4) (2-)·H(2)O, each cation in the asymmetric unit is stabilized by an intra-molecular N-H⋯O hydrogen bond. The O atoms of the sulfate ion are disordered over two sets of sites with an occupancy ratio of 0.541 (13):0.459 (13), which possibly optimizes the acceptance of N-H⋯O hydrogen bonds from the cations. The crystal structure also features aromatic π-π stacking [centroid-centroid separation = 3.842 (2) Å] and a C-H⋯π inter-action.

| S-EPMC2983959 | biostudies-literature

Bis[(4-cyano-benz-yl)ammonium] bis-(perchlorate) monohydrate.

Project description:The asymmetric unit of the title compound, 2C(8)H(9)N(2) (+)·2ClO(4) (-)·H(2)O, consists of two (4-cyano-benz-yl)>ammonium cations, two disordered ClO(4) (-) anions and one water mol-ecule. The differences in the two cations are reflected in the N-C-C-C torsion angles [-94.7?(3) and -115.9?(3)°]. In addition, the cations show different hydrogen-bonding patterns as one N atom bonds to two O atoms of ClO(4) (-) ions, while the other N atom is involved in hydrogen bonding with the O atoms of the ClO(4) (-) ions and water mol-ecules. In the crystal, N-H?O and O-H?O hydrogen bonds result in a three-dimensional network. An O atom in each of the anions is disordered over two positions of equal occupancy.

| S-EPMC3239064 | biostudies-literature

1-Benzyl-piperazine-1,4-diium bis-(perchlorate) monohydrate.

Project description:In the title compound, C(11)H(18)N(2) (2+)·2ClO(4) (-)·H(2)O, one perchlor-ate anion is disordered over two orientations in a 0.66?(3):0.34?(3) ratio. Inter-molecular O-H?O, N-H?O and C-H?O hydrogen bonds link the cations, anions and water mol-ecules into ribbons extending along [100].

| S-EPMC3006781 | biostudies-literature

Adeninium 3-carboxy-anilinium bis-(perchlorate) trihydrate.

Project description:In the title salt, C(5)H(6)N(5) (+)·C(7)H(8)NO(2) (+)·2ClO(4) (-)·3H(2)O, the 3-carboxy-anilinium and adeninium cations are monoprotonated at the amino group and at a pyrimidine N atom respectively. In the crystal, the components are involved in extensive three-dimensional hydrogen-bonding networks composed of O-H?O, N-H?O, O-H?N, N-H?N and C-H?O inter-actions. Bifurcated hydrogen bonds are observed between perchlorate O atoms and adeninium cations.

| S-EPMC2970376 | biostudies-other

μ-Oxalato-bis-[(2,2'-bipyridyl)-copper(II)] bis(perchlorate) dimethyl-formamide disolvate monohydrate.

Project description:The title compound, [Cu(2)(C(2)O(4))(C(10)H(8)N(2))(4)](ClO(4))(2)·2C(3)H(7)NO·H(2)O, contains doubly charged centrosymmetric dinuclear oxalato-bridged copper(II) complex cations, perchlorate anions, and DMF and water solvate mol-ecules. In the complex cation, the oxalate ligand is coordinated in a bis-bidentate bridging mode to the Cu atoms. Each Cu atom has a distorted tetra-gonal-bipyramidal environment, being coordinated by two N atoms of the two chelating bipy ligands and two O atoms of the doubly deprotonated oxalate anion. Pairs of perchlorate anions and water mol-ecules are linked into recta-ngles by O-H⋯O bonds in which the perchlorate O atoms act as acceptors and the water mol-ecules as donors. Methyl groups of the DMF solvent molecule are disordered over two sites with occupancies of 0.453 (7):0.547 (7), and the water molecule is half-occupied.

| S-EPMC3008067 | biostudies-literature

cis-Diaqua-bis-(2,2'-bipyrimidine-?N,N)manganese(II) bis-(perchlorate) nitro-methane disolvate monohydrate.

Project description:The asymmetric unit of the title compound, [Mn(C(8)H(6)N(4))(2)(H(2)O)(2)](ClO(4))(2)·2CH(3)NO(2)·H(2)O, contains one half of a cationic Mn(II) complex, a ClO(4) (-) anion, a nitro-methane solvent mol-ecule and one half-mol-ecule of water. The complex mol-ecule and the solvent water mol-ecule are located on a twofold rotation axis. In the complex, the Mn(II) ion has a distorted cis-N(4)O(2) octa-hedral coordination geometry defined by four N atoms of the two chelating 2,2'-bipyrimidine ligands and two O atoms of water mol-ecules. In the crystal, the complex cations, anions and solvent mol-ecules are linked by inter-molecular O-H?N, O-H?O and weak C-H?O hydrogen bonds. The ClO(4) (-) anion is disordered over two sites with a site-occupancy factor of 0.512?(12) for the major component.

| S-EPMC3238608 | biostudies-literature

5,7,7,12,14,14-Hexamethyl-4,11-diaza-1,8-diazo-niacyclo-tetra-decane bis-(perchlorate) monohydrate.

Project description:In the title hydrated salt, C(16)H(38)N(4) (2+)·2ClO(4) (-)·H(2)O, the dication is protonated at the diagonally opposite N atoms proximate to the -C(CH(3))(2)- groups. Within the cavity, there are two ammonium-amine N-H?N hydrogen bonds. Supra-molecular layers are formed in the crystal packing whereby the water mol-ecule links two perchlorate anions, and the resultant aggregates are connected to the dications via N-H?O hydrogen bonds. Layers, with an undulating topology, stack along the a axis being connected by C-H?O inter-actions.

| S-EPMC3344117 | biostudies-literature

Melaminium perchlorate monohydrate.

Project description:In the title hydrated salt, 2,4,6-triamino-1,3,5-triazin-1-ium perchlorate monohydrate, C(3)H(7)N(6) (+)·ClO(4) (-)·H(2)O, the constituents are linked via hydrogen bonds of the O-H?O, N-H?O, N-H?N and N-H?Cl types. All the H atoms of the melaminium cation are involved in the hydrogen bonds. The melaminium residues are inter-connected by four N-H?N hydrogen bonds, forming chains parallel to (111). The ribbons are inter-connected by other hydrogen bonds as well as by ?-? inter-actions [centroid-centroid distance = 3.8097?(7)?Å].

| S-EPMC2979602 | biostudies-literature

[2-(2-Carboxy-phen-yl)benzoato]bis-(1,10-phenanthroline)zinc(II) 2-(2-carboxy-phen-yl)benzoate monohydrate.

Project description:In the title compound, [Zn(C(14)H(9)O(4))(C(12)H(8)N(2))(2)](C(14)H(9)O(4))·H(2)O, the Zn(II) atom of the complex cation is six-coordinated in an octa-hedral geometry by four N atoms from two 1,10-phenanthroline ligands and two O atoms of a carboxyl-ate group from a singly deprotonated diphenic acid. The phenanthroline and carboxylate ligands act as chelating ligands. The dihedral angles between the two benzene rings in the deprotonated diphenic acid groups are 81.05?(2) (ligand) and 89.10?(2)° (anion). O-H?O and C-H?O hydrogen bonds link the components into a three-dimensional network.

| S-EPMC2961034 | biostudies-literature

Bis[N-(pyridin-2-ylcarbon-yl)pyridine-2-carboxamidato]iron(III) perchlorate monohydrate.

Project description:The structure of the title salt complex, [Fe(C(12)H(8)N(3)O(2))(2)]ClO(4)·H(2)O, contains one Fe(III) cation, two N-(pyridin-2-ylcarbon-yl)pyridine-2-carboxamidate (bpca(-)) anions, one perchlorate anion and one water mol-ecule. The Fe(III) cation has an approximate octa-hedral geometry, defined by six N atoms from two bpca(-) anions. The nearly parallel [dihedral angle = 1.50?(1)°] bpca(-) anions form two-dimensional supermolecules along the a axis by the way of weak ?-? stacking inteactirons [centroid-centroid distances = 3.948?(2), 4.000?(2), 3.948?(2), 3.911?(2), 3.897?(2), 3.984?(2) and 3.929?(2)?Å]. Intra- and inter-molecular C-H?O hydrogen bonding occurs. The water mol-ecule [occupancies 0.520?(5) and 0.480?(5)], two carbonyl O atoms [occupancies 0.622?(7) and 0.378?(7)] and the four perchlorate O atoms [occupancies 0.887?(4) and 0.113?(4)] are each disordered over two positions.

| S-EPMC3238670 | 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