Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4,10-Bis(pyridin-2-ylmeth-yl)-1,7-dithia-4,10-diazo-niacyclo-dodecane bis(perchlorate).

ABSTRACT: The asymmetric unit of the title compound C(20)H(30)N(4)S(2) (+). 2ClO(4) (-) comprises one macrocyclic cation and two perchlorate anions. In the cation, one of the protonated H atoms bound to the amide N atom is involved in an intra-molecular N-H?N hydrogen bond. The O atoms in the two perchlorate anions are disordered over two sets of sites with occupancy ratios of 0.65?(3):0.35?(3) and 0.640?(15):0.360?(15).

SUBMITTER: Wei Z

PROVIDER: S-EPMC3200833 | biostudies-other | 2011 Sep

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

4,10-Bis(pyridin-2-ylmeth-yl)-1,7-dithia-4,10-diazo-niacyclo-dodecane bis(perchlorate).

Wei Zhenhong Z You Xiuli X

Acta crystallographica. Section E, Structure reports online 20110827 Pt 9

The asymmetric unit of the title compound C(20)H(30)N(4)S(2) (+). 2ClO(4) (-) comprises one macrocyclic cation and two perchlorate anions. In the cation, one of the protonated H atoms bound to the amide N atom is involved in an intra-molecular N-H⋯N hydrogen bond. The O atoms in the two perchlorate anions are disordered over two sets of sites with occupancy ratios of 0.65 (3):0.35 (3) and 0.640 (15):0.360 (15). ...[more]

PMID: 22058983

Similar Datasets

2,2'-[4,10-Bis(carb-oxy-meth-yl)-4,10-diaza-1,7-diazo-niacyclo-dodecane-1,7-di-yl]diacetate dihydrate.

Project description:In the title compound, C(16)H(28)N(4)O(8)·2H(2)O, the 12-membered macrocycle has twofold crystallographic symmetry and the asymmetric unit comprises one half-mol-ecule. The four carbox-yl/carboxyl-ate groups reside on the same side of the macrocycle. The mol-ecule is a double zwitterion with two of the carb-oxy-lic acid H atoms transferred to the two N atoms on the opposite sides of the macrocycle, resulting in both N atoms having positive charges and leaving the two resulting carboxyl-ate groups with negative charges. The two remaining carb-oxy-lic acid groups and the carboxyl-ate groups form O-H⋯O hydrogen bonds with the crystal water mol-ecules. The H atoms bound to the N atoms within the macrocyle are engaged in two equivalent hydrogen bonds with the adjacent N atoms.

| S-EPMC3052104 | biostudies-literature

Bis[?-N-(pyridin-2-ylmeth-yl)pyridin-3-amine-?(2) N:N']disilver(I) bis-(perchlorate) dimethyl sulfoxide disolvate.

Project description:In the binuclear title compound, [Ag2(C11H11N3)2](ClO4)2·2C2H6SO, the complex cation is centrosymmetric, with the unique Ag(I) cation coordinated by two pyridine N atoms from two symmetry-related N-(pyridine-2-ylmeth-yl)pyridine-3-amine ligands in a geometry slightly distorted from linear [N-Ag-N = 170.78?(9)°], resulting in the formation of a 16-membered cyclic dimer. The two pyridine rings coordinating to the Ag(I) atom are almost perpendicular to each other [dihedral angle = 87.73?(10)°]. Inter-molecular Ag?O inter-actions [3.149?(3) and 2.686?(3)?Å], N-H?O and C-H?O hydrogen bonds and C-H?? inter-actions between the cyclic dimers and the anions or the solvent mol-ecules lead to the formation of a three-dimensional supra-molecular network.

| S-EPMC3884244 | biostudies-literature

Chlorido[N,N'-dibenzyl-N,N'-bis-(pyridin-2-ylmeth-yl)ethane-1,2-diamine]-copper(II) perchlorate methanol monosolvate.

Project description:In the title solvated mol-ecular salt, [CuCl(C(28)H(30)N(4))]ClO(4)·CH(3)OH, the Cu(2+) ion is coordinated by the N,N',N'',N'''-tetra-dentate ligand and a chloride ion, generating a very distorted square-based pyramidal CuN(4)Cl coordination geometry with the Cl(-) ion in the basal position. In the crystal, the solvent mol-ecules and anions are linked by weak O-H?O hydrogen bonding.

| S-EPMC3344412 | biostudies-literature

N,N-Bis(pyridin-2-ylmeth-yl)cyclo-hexa-namine.

Project description:The pyridine rings of the title compound, C(18)H(23)N(3), are in a nearly perpendicular orientation relative to the plane defined by the three amino-bonded C atoms, making dihedral angles of 87.4 (1) ° and 84.2 (1) °. One of the pyridine N atoms acts as an hydrogen-bond acceptor for two pyridine C-H groups. By means of these intermolecular hydrogen bonds, the mol-ecules form a two-dimensional network parallel to the ab plane.

| S-EPMC3393994 | biostudies-literature

catena-Poly[[[di-aqua-bis-[1,2-bis-(pyridin-4-yl)diazene]copper(II)]-μ-1,2-bis-(pyridin-4-yl)diazene] bis-(perchlorate)].

Project description:In the title compound, {[Cu(C10H8N4)3(H2O)2](ClO4)2} n , the coordination environment of the cationic Cu(II) atom is distorted octa-hedral, formed by pairs of symmetry-equivalent 1,2-bis-(pyridin-4-yl)diazene ligands, bridging 1,2-bis-(pyridin-4-yl)diazene ligands and two non-equivalent water mol-ecules. The 1,2-bis-(pyridin-4-yl)diazene mol-ecules form polymeric chains parallel to [-101] via azo bonds which are situated about inversion centres. Since the Cu(II) atom is situated on a twofold rotation axis, the monomeric unit has point symmetry 2. The perchlorate anions are disordered in a 0.536 (9):0.464 (9) ratio and are acceptors of water H atoms in medium-strong O-H⋯O hydrogen bonds with graph set R 4 (4)(12). The water mol-ecules, which are coordinated to the Cu(II) atom and are hydrogen-bonded to the perchlorate anions, form columns parallel to [010]. A π-π inter-action [centroid-centroid distance = 3.913 (2) Å] occurs between pyridine rings, and weak C-H⋯O inter-actions also occur.

| S-EPMC3684881 | biostudies-literature

Bis[?-N-(pyridin-2-ylmeth-yl)pyridin-2-amine-?N:N']disilver(I) bis(trifluoro-methane-sulfonate).

Project description:In the binuclear title compound, [Ag(2)(C(11)H(11)N(3))(2)](CF(3)O(3)S)(2), the complex cation is centrosymmetric, with the unique Ag(+) cation coordinated by two pyridine N atoms from two symmetry-related N-(pyridin-2-ylmeth-yl)pyridin-2-amine ligands in a geometry slightly distorted from linear [N-Ag-N 161.02?(7)°]. This set-up leads to the formation of a 14-membered cyclic dimer. The two pyridine rings coordinated to the Ag(+) cation are tilted by 80.19?(7)° with respect to each other. Inter-molecular N-H?O hydrogen-bonding inter-actions between the cyclic dimer and the anion exist. A two-dimensional network parallel to the ac plane is constructed by three weak Ag?(O,N) inter-actions as well as an F?F contact of 2.890?(4)?Å.

| S-EPMC3238672 | biostudies-literature

(2S*,5R*)-2,5-Dimethyl-1,4-bis-(pyridin-2-ylmeth-yl)piperazine.

Project description:The title compound, C18H24N4, resides on a crystallographic inversion centre, so that the asymmetric unit comprises one half-mol-ecule. The piperazine ring adopts a chair conformation, with the mean planes of the two equatorial pyridine rings parallel to each other and separated by 2.54 (3) Å. No classical hydrogen bonds are observed.

| S-EPMC3770377 | biostudies-literature

trans-Tetra-aqua-bis-[bis-(pyridin-3-yl)methanone-?N]manganese(II) bis-(perchlorate).

Project description:In the title complex, [Mn(C(11)H(8)N(2)O)(2)(H(2)O)(4)](ClO(4))(2), the Mn(2+) ion is located on an inversion center with the slightly distorted N(2)O(4) octa-hedral coordination sphere comprising N-atom donors from two monodentate trans-related bis-(pyridin-3-yl)methanone ligands and four water ligands. The two perchlorate anions are linked to the mononuclear complex mol-ecule through water O-H?O hydrogen bonds while inter-complex water O-H?N(pyridine) inter-actions form an infinite chain structure extending along the b axis. The perchlorate anions also function as inter-unit links through water O-H?O hydrogen bonds which, together with water O-H?O(carbon-yl) inter-actions, give a three-dimensional framework structure.

| S-EPMC3254301 | biostudies-literature

{1,1'-Bis[(pyridin-2-yl)meth-yl]-2,2'-bipiperid-yl}(perchlorato)copper(II) perchlorate.

Project description:The title complex, [CuII(ClO4)(mesoPYBP)](ClO4) {PYBP = 1,1'-bis-[(pyridin-2-yl)meth-yl]-2,2'-bipiperidyl, C22H30N4}, was prepared and found to crystallize with two crystallographically independent complex salt moieties. The metal atoms of the cations adopt a pseudo-square-pyramidal coordination geometry, where the tetra-dentate amino-pyridine ligands (PYBP) are wrapped around the Cu atoms in the equatorial plane. The Cu-O bonds involving an O atom of the coordinating perchlorate anion are approximately perpendicular to the plane. The two remaining non-coordinating perchlorate anions are involved in several C-H?O hydrogen bonds with the PYBP ligand and balance the total charge of the complex salt. The two crystallographically independent moieties are related to each other via a pseudo-translation along the a-axis direction. Exact translational symmetry is broken by (i) a difference in the conformation of one of the piperidine rings, featuring a chair conformation in one of the cations, and a sterically disfavored boat conformation in the other; and (ii) by modulation of the non-coordinating perchlorate anions.

| S-EPMC5499296 | biostudies-literature

Bis(pyridin-2-ylmeth-yl)ammonium nitrate.

Project description:In the title compound, C12H14N3 (+)·NO3 (-), the mononitrate of protonated bis-(pyridin-2-ylmeth-yl)amine, the least-squares planes defined by the non-H atoms of the two aromatic moieties inter-sect at an angle of 7.91?(6)°. In the crystal, N-H?N, N-H?O and C-H?N hydrogen bonds, as well as C-H?O contacts, connect the entities into a three-dimensional network. The shortest centroid-centroid distance between two aromatic systems is 3.7255?(8)?Å and is apparent between the two different aromatic moieties.

| S-EPMC3647857 | biostudies-other

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