Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,3-Bis[(6-methyl-2-pyrid-yl)meth-yl]imidazolium bromide.

ABSTRACT: The title compound, C(17)H(19)N(4) (+)·Br(-), is built up from 1,3-bis-[(6-methyl-2-pyridin-yl)meth-yl]imidazolium cations and bromide anions. Each of two 6-methyl-2-pyridyl rings is rotated out of the imidazole plane, making dihedral angles of 79.90?(9) and 86.40?(9)°. The packing is consolidated by aromatic ?-? inter-actions between the pyridine rings of neighbouring mol-ecules [centroid-centroid distance = 3.554?(2)?Å] and by weak C-H?N and C-H?Br hydrogen bonds.

SUBMITTER: Kim GY

PROVIDER: S-EPMC2968481 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1,3-Bis[(6-methyl-2-pyrid-yl)meth-yl]imidazolium bromide.

Kim Ga Young GY Park Sang-Kyu SK Lee Dong-Heon DH Park Gyungse G

Acta crystallographica. Section E, Structure reports online 20090228 Pt 3

The title compound, C(17)H(19)N(4) (+)·Br(-), is built up from 1,3-bis-[(6-methyl-2-pyridin-yl)meth-yl]imidazolium cations and bromide anions. Each of two 6-methyl-2-pyridyl rings is rotated out of the imidazole plane, making dihedral angles of 79.90 (9) and 86.40 (9)°. The packing is consolidated by aromatic π-π inter-actions between the pyridine rings of neighbouring mol-ecules [centroid-centroid distance = 3.554 (2) Å] and by weak C-H⋯N and C-H⋯Br hydrogen bonds. ...[more]

PMID: 21582286

Similar Datasets

1,3-Bis(carboxy-meth-yl)imidazolium triiodide 1-carboxyl-atomethyl-3-carboxy-methyl-imidazolium.

Project description:In the title compound, C(7)H(9)N(2)O(4) (+)·I(3) (-)·C(7)H(8)N(2)O(4), the two imidazolium units are hydrogen bonded through the carboxyl groups. The units are further linked via inter-molecular O-H?O hydrogen bonding, resulting in a one-dimensional ladder-type structure. As a result, the two carb-oxy groups of each imidazolium unit adopt a cis configuration with respect to the imidazolium ring.

| S-EPMC2977287 | biostudies-literature

1,3-Bis(2-cyano-benz-yl)imidazolium bromide.

Project description:In the title salt, C(19)H(15)N(4) (+)·Br(-), the central imidazole ring makes dihedral angles of 83.1 (2) and 87.6 (2)° with the terminal benzene rings. The dihedral angle between the terminal benzene rings is 6.77 (19)°; the cyanide substituents have an anti orientation. In the crystal, the cations and anions are linked via C-H⋯N and C-H⋯Br hydrogen bonds, forming sheets lying parallel to the ac plane.

| S-EPMC3239090 | biostudies-literature

Bis(3-meth-oxy-6-methyl-2-pyrid-yl) ether.

Project description:In the mol-ecule of the title compound, C(14)H(16)N(2)O(3), the dihedral angle between the pyridyl rings is 87.74 (3)°. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into infinite zigzag chains.

| S-EPMC2960406 | biostudies-literature

Bis{2-meth-oxy-6-[(3-pyrid-yl)methyl-imino-meth-yl]phenolato}copper(II).

Project description:In the mononuclear title complex, [Cu(C(14)H(13)N(2)O(2))(2)], the Cu(II) atom lies on an inversion centre and adopts a square-planar coordination geometry. The dihedral angle formed by the pyridine and benzene rings is 74.61?(5)°. Intra-molecular C-H?O hydrogen bonds are present. The crystal structure is stabilized by weak aromatic ?-? stacking inter-actions involving neighbouring pyridine rings [centroid-centroid distance = 3.853?(2)?Å].

| S-EPMC2970154 | biostudies-literature

1,3-Bis(chloro-meth-yl)-2-methyl-5-nitro-benzene.

Project description:The title compound, C(9)H(9)Cl(2)NO(2), is a natural product isolated from the endophytic fungus No. B77 of the mangrove tree from the South China Sea coast. In the crystal structure, the mol-ecules lie on twofold axes and form offset stacks through face-to-face π-π inter-actions. Adjacent mol-ecules in each stack are related by a centre of inversion and have an inter-planar separation of 3.53 (1) Å, with a centroid-centroid distance of 3.76 (1) Å. Between stacks, there are C-H⋯O inter-actions to the nitro groups and Cl⋯Cl contacts of 3.462 (1) Å.

| S-EPMC2960992 | biostudies-literature

Sulfonated 1,3-bis-(4-pyrid-yl)propane.

Project description:In the title compound, 4-[3-(3-sulfonato-pyridin-1-ium-4-yl)prop-yl]pyridin-1-ium-3-sulfonate, C(13)H(14)N(2)O(6)S(2), the mol-ecule is zwitterionic, with the sulfonic acid proton transfered to the basic pyridine N atom. Also, the structure adopts a butterfly-like conformation with the sulfonate groups on opposite sides of the 'wings'. The dihedral angle between the two pyridinium rings is 83.56?(7)°, and this results in the mol-ecule having a chiral conformation and packing. There is strong inter-molecular hydrogen bonding between the pyridinium H and sulfonate O atoms of adjoining mol-ecules. In addition, there are weaker inter-molecular C-H?O inter-actions.

| S-EPMC3120508 | biostudies-literature

2,3-Bis[(2-methyl-phen-oxy)meth-yl]buta-1,3-diene.

Project description:The mol-ecule of the title compound, C(20)H(22)O(2), a symmetrically 2-methyl-phenol-substituted divinyl analog, exhibits crystallographically imposed C(2) symmetry. The mol-ecular structure is essentially planar. The structure is stabilized by a short inter-molecular C-H⋯O contact. Cooperative C-H⋯π inter-actions generate an infinite one-dimensional chain of mol-ecules along the a axis.

| S-EPMC2915193 | biostudies-literature

Crystal structure of 1,3-bis-(4-methyl-benz-yl)-1H-1,3-benzimidazol-3-ium bromide monohydrate.

Project description:In the title hydrated symetrically substituted 1,3-bis-(4-methyl-benz-yl)benzimidazolium salt, C23H23N2 (+)·Br(-)·H2O, the dihedral angles between the benzimidazole ring system (r.m.s. deviation = 0.003 Å) and the pendant benzene rings are 73.18 (16) and 77.52 (16)°. Both benzene rings lie to the same side of the benzimidazole ring system, giving the cation an overall U-shape. In the crystal, the cation is linked to the water mol-ecule by a short C-H⋯O hydrogen bond and the water mol-ecule forms O-H⋯Br hydrogen bonds. Together, these inter-actions lead to [010] chains. The packing is consolidated by C-H⋯Br hydrogen bonds and aromatic π-π stacking inter-actions [centroid-centroid distances = 3.5401 (17) and 3.8815 (18) Å], generating a three-dimensional network.

| S-EPMC4331869 | biostudies-literature

Di-?-perchlorato-bis-{?-2-[(2-pyrid-yl)methyl-amino-meth-yl]phenolato)dicopper(II) acetonitrile disolvate.

Project description:In the crystal of the dinuclear title compound, [Cu(2)(C(13)H(13)N(2)O)(2)(ClO(4))(2)]·2CH(3)CN, the two bridging perchlorate ions chelate to the two Cu(II) atoms in a ?-O:O' fashion on opposite sides of the equatorial plane. The Cu(II) ions display a distorted octa-hedral coordination geometry (in the usual 4 + 2 Jahn-Teller arrangement), each being coordinated by two O atoms from the two perchlorate ligands, and two N and O atoms from the reduced Schiff base ligand. The asymmetric unit contains two acetonitrile solvent mol-ecules. In the crystal structure, in addition to N-H?O hydrogen bonds, there are weak C-H?O inter-actions between the perchlorate O atoms and the reduced Schiff base ligand. C-H?N inter-actions are also present.

| S-EPMC2977449 | biostudies-literature

Bis{μ-1,3-bis-[(2-methyl-1H-benzimid-azol-1-yl)meth-yl]benzene-κN:N}bis-(diiodidocadmium).

Project description:In the title compound, [Cd(2)I(4)(C(24)H(22)N(4))(2)], the 1,3-bis-[(2-methyl-1H-benzimidazol-1-yl)meth-yl]benzene ligand bridges two CdI(2) units, forming a centrosymmetric dinuclear complex. The Cd(II) atom adopts a distorted tetra-hedral coordination geometry. In the crystal, complex mol-ecules are linked into columns parallel to [101] by π-π stacking inter-actions, with centroid-centroid distances of 3.558 (2) Å.

| S-EPMC3246984 | 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