Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of ammonium bis-[(pyridin-2-yl)meth-yl]ammonium dichloride.

ABSTRACT: In the title molecular salt, C12H14N3 (+)·NH4 (+)·2Cl(-), the central, secondary-amine, N atom is protonated. The bis-[(pyridin-2-yl)meth-yl]ammonium and ammonium cations both lie across a twofold rotation axis. The dihedral angles between the planes of the pyridine rings is 68.43?(8)°. In the crystal, N-H?N and N-H?Cl hydrogen bonds link the components of the structure, forming a two-dimensional network parallel to (010). In addition, weak C-H?Cl hydrogen bonds exist within the two-dimensional network.

SUBMITTER: Trischler A

PROVIDER: S-EPMC4555372 | biostudies-literature | 2015 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Crystal structure of ammonium bis-[(pyridin-2-yl)meth-yl]ammonium dichloride.

Trischler Aaron A Oshin Kayode K Pintauer Tomislav T

Acta crystallographica. Section E, Crystallographic communications 20150829 Pt 9

In the title molecular salt, C12H14N3 (+)·NH4 (+)·2Cl(-), the central, secondary-amine, N atom is protonated. The bis-[(pyridin-2-yl)meth-yl]ammonium and ammonium cations both lie across a twofold rotation axis. The dihedral angles between the planes of the pyridine rings is 68.43 (8)°. In the crystal, N-H⋯N and N-H⋯Cl hydrogen bonds link the components of the structure, forming a two-dimensional network parallel to (010). In addition, weak C-H⋯Cl hydrogen bonds exist within the two-dimensional ...[more]

PMID: 26396908

Similar Datasets

Crystal structure of N,N'-bis-(pyridin-3-ylmeth-yl)cyclo-hexane-1,4-di-ammonium dichloride.

Project description:The title salt, C18H26N42+·2Cl-, was obtained by the protonation of N,N-bis-(pyridin-4-ylmeth-yl)cyclo-hexane-1,4-di-amine with hydro-chloric acid in ethanol. The asymmetric unit consists of one half of an N,N-bis-(pyridin-3-ylmeth-yl)cyclo-hexane-1,4-di-ammonium dication, with a crystallographic inversion centre located at the centre of the cyclo-hexyl ring, and a chloride anion. The central cyclo-hexyl ring in the dication adopts a chair conformation. The two trans-(4-pyridine)-CH2-NH2- moieties at the 1- and 4-positions of the central cyclo-hexyl ring occupy equatorial sites. The terminal pyridine ring is tilted by 53.72 (6)° with respect to the mean plane of the central cyclo-hexyl ring (r.m.s. deviation = 0.2413 Å). In the crystal, N+-H⋯Cl- hydrogen bonds between the dications and the chloride anions, and π-π stacking inter-actions between the pyridine rings of the dications afford a two-dimensional sheet extending parallel to the ab plane. These sheets are further connected through weak C-H⋯Cl- hydrogen bonds, resulting in the formation of a three-dimensional supra-molecular network.

| S-EPMC5137595 | biostudies-literature

Crystal structure of N,N'-bis-(pyridin-4-ylmeth-yl)cyclo-hexane-1,4-di-ammonium dichloride dihydrate.

Project description:Treatment of N,N-bis-(pyridin-4-ylmeth-yl)cyclo-hexane-1,4-di-amine with hydro-chloric acid in ethanol led to the formation of the title salt, C18H26N42+·2Cl-·2H2O, which lies about a crystallographic inversion center at the center of the cyclo-hexyl ring. The asymmetric unit therefore comprises one half of the N,N-bis-(pyridin-4-ylmeth-yl)cyclo-hexane-1,4-di-ammonium dication, a chloride anion, and a solvent water mol-ecule. In the dication, the two trans-(4-pyridine)-CH2-NH2- moieties occupy equatorial sites at the 1- and 4-positions of the central cyclo-hexyl ring, which is in a chair conformation. The terminal pyridine ring is tilted by 27.98 (5)° with respect to the mean plane of the central cyclo-hexyl moiety (r.m.s. deviation = 0.2379 Å). In the crystal, dications, anions, and solvent water mol-ecules are connected via N/C/O-H⋯Cl and N-H⋯O hydrogen bonds together with C-H⋯π inter-actions, forming a three-dimensional network.

| S-EPMC5050774 | biostudies-literature

Crystal structure of N,N'-bis-[(pyridin-4-yl)meth-yl]naphthalene di-imide.

Project description:In the centrosymmetric title compound, C26H16N4O4 {systematic name: 6,13-bis-[(pyridin-4-yl)meth-yl]-6,13-di-aza-tetra-cyclo-[6.6.2.0(4,16)0(11,15)]hexa-deca-1,3,8,10,15-pantaene-5,7,12,14-tetrone}, the central ring system is essentially planar [maximum deviation = 0.0234?(8)?Å] and approximately perpendicular to the terminal pyridine ring [dihedral angle = 84.38?(3)°]. The mol-ecules displays a trans conformation with the (pyridin-4-yl)methyl groups on both sides of the central naphthalene di-imide plane. In the crystal, mol-ecules are linked by ?-? stacking between parallel pyridine rings [centroid-centroid distances = 3.7014?(8) and 3.8553?(8)?Å] and weak C-H?O hydrogen bonds, forming a three-dimensional supra-molecular architecture.

| S-EPMC4186118 | biostudies-literature

Crystal structure of 1,1'-(pyridine-2,6-di-yl)bis-[N-(pyridin-2-ylmeth-yl)methanaminium] dichloride dihydrate.

Project description:In the title compound, C19H23N5 2+·2Cl-·2H2O, the two pyridine side arms are not coplanar, with the terminal pyridine rings subtending a dihedral angle of 26.45 (6)°. In the crystal, hydrogen bonds, inter-molecular C-H⋯Cl contacts and a weak C-H⋯O inter-action connect the mol-ecule with neighbouring chloride counter-anions and lattice water mol-ecules. The crystal packing also features by π-π inter-actions with centroid-centroid distances of 3.4864 (12) and 3.5129 (13) Å.

| S-EPMC8647756 | biostudies-literature

Crystal structure of 7-{[bis-(pyridin-2-ylmeth-yl)amino]-meth-yl}-5-chloro-quinolin-8-ol.

Project description:In the title compound, C22H19ClN4O, the quinolinol moiety is almost planar [r.m.s. deviation = 0.012?Å]. There is an intra-molecular O-H?N hydrogen bond involving the hy-droxy group and a pyridine N atom forming an S(9) ring motif. The dihedral angles between the planes of the quinolinol moiety and the pyridine rings are 44.15?(9) and 36.85?(9)°. In the crystal, mol-ecules are linked via C-H?O hydrogen bonds forming inversion dimers with an R 4 (4)(10) ring motif. The dimers are linked by C-H?N hydrogen bonds, forming ribbons along [01-1]. The ribbons are linked by C-H?? and ?-? inter-actions [inter-centroid distance = 3.7109?(11)?Å], forming layers parallel to (01-1).

| S-EPMC4719835 | biostudies-literature

Crystal structure of poly[{μ-N,N'-bis[(pyridin-4-yl)meth-yl]oxalamide}-μ-oxalato-cobalt(II)].

Project description:In the polymeric title compound, [Co(C2O4)(C14H14N4O2)] n , the Co(II) atom is six-coordinated by two N atoms from symmetry-related bis-[(pyridin-4-yl)meth-yl]oxalamide (BPMO) ligands and four O atoms from two centrosymmetric oxalate anions in a distorted octa-hedral coordination geometry. The Co(II) atoms are linked by the oxalate anions into a chain running parallel to [100]. The chains are linked by the BPMO ligands into a three-dimensional architecture. In addition, N-H⋯O hydrogen bonds stabilize the crystal packing.

| S-EPMC4186178 | biostudies-literature

Crystal structure of bis-[?-meth-oxy(pyridin-2-yl)methano-lato-?(3) N,O:O]bis[chlorido-copper(II)].

Project description:The racemic title compound, [Cu2(C7H8NO2)2Cl2], is composed of dinuclear mol-ecules in which meth-oxy(pyridin-2-yl)methano-late ligands bridge two symmetry-related Cu(II) ions. Each Cu(II) ion is coordinated in a square-planar geometry by one Cl atom, the N and O atoms of the bidentate ligand and the bridging O atom of the centrosymmetrically related bidentate ligand. The separation between the two Cu(II) atoms is 3.005?(1)?Å. In the crystal, non-classical C-H?O hydrogen bonds, weak ?-? stacking [centroid-centroid distance = 4.073?(1)?Å] and weak electrostatic Cu?Cl inter-actions [3.023?(1)?Å] link the dinuclear mol-ecules into chains running parallel to the b axis. These chains are further connected by weak C-H?Cl hydrogen bonds directed approximately along the a axis, forming a three-dimensional supra-molecular network.

| S-EPMC4384564 | biostudies-literature

Crystal structure of bis-{μ2-3-(pyridin-2-yl)-5-[(1,2,4-triazol-1-yl)meth-yl]-1,2,4-triazolato}bis-[aqua-nitrato-copper(II)] dihydrate.

Project description:The structure of the dinuclear title complex, [Cu2(C10H8N7)2(NO3)2(H2O)2]·2H2O, consists of centrosymmetric dimeric units with a copper-copper separation of 4.0408 (3) Å. The Cu(II) ions in the dimer display a distorted octa-hedral coordination geometry and are bridged by two triazole rings, forming an approximately planar Cu2N4 core (r.m.s. deviation = 0.049 Å). In the crystal, O-H⋯O, O-H⋯N and C-H⋯O hydrogen bonds and π-π inter-actions link the mol-ecules into a three-dimensional network.

| S-EPMC4910315 | biostudies-literature

Crystal structure of (pyridin-2-yl-methyl-idene)(tri-phenyl-meth-yl)amine.

Project description:The title Schiff base compound, C25H20N2, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. In both mol-ecules, the imine group is approximately coplanar with the pyridine ring, with N-C-C-N torsion angles of 170.1?(3) and -172.0?(3)?Å. In the crystal, A and B dimers are linked by pairs of C-H?? inter-actions and further C-H?? bonds link the dimers into a three-dimensional network.

| S-EPMC4257176 | biostudies-literature

Crystal structure of (E)-4-meth-oxy-2-{[(5-methyl-pyridin-2-yl)imino]-meth-yl}phenol.

Project description:The mol-ecule of the title Schiff base compound, C14H14N2O2, displays an E conformation with respect the imine C=N double bond. The mol-ecule is approximately planar, with the dihedral angle formed by the planes of the pyridine and benzene rings being 5.72 (6)°. There is an intra-molecular hydrogen bond involving the phenolic H and imine N atoms.

| S-EPMC4645057 | 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