Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

C-Methyl-calix[4]resorcinarene-1,4-bis-(pyridin-3-yl)-2,3-diaza-1,3-butadiene (1/2).

ABSTRACT: In the title compound, 2C(12)H(10)N(4)·C(32)H(32)O(8), the calixarene adopts a rctt conformation with dihedral angles of 138.40 (1) and 9.10 (1)° between the opposite rings. The dihedral angles between the rings of the pyridine derivative are 8.80 (1) and 9.20 (1)°. In the crystal, adjacent C-methylcalix[4]resorcinarene molecules are connected into columns parallel to [010] by O-H⋯O hydrogen bonds. O-H⋯N hydrogen bonds between the axial phenoxyl groups and bipyridine molecules link the columns into sheets parallel to (011), which are connected by O-H⋯N hydrogen bonds. Further O-H⋯N hydrogen bonds link the bipyridine and C-methylcalix[4]resorcinarene molecules, giving rise to a three-dimensional network.

SUBMITTER: Udachin KA

PROVIDER: S-EPMC3274953 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

C-Methyl-calix[4]resorcinarene-1,4-bis-(pyridin-3-yl)-2,3-diaza-1,3-butadiene (1/2).

Udachin Konstantin A KA Zaman Md Badruz MB Ripmeester John A JA

Acta crystallographica. Section E, Structure reports online 20120107 Pt 2

In the title compound, 2C(12)H(10)N(4)·C(32)H(32)O(8), the calixarene adopts a rctt conformation with dihedral angles of 138.40 (1) and 9.10 (1)° between the opposite rings. The dihedral angles between the rings of the pyridine derivative are 8.80 (1) and 9.20 (1)°. In the crystal, adjacent C-methylcalix[4]resorcinarene molecules are connected into columns parallel to [010] by O-H⋯O hydrogen bonds. O-H⋯N hydrogen bonds between the axial phenoxyl groups and bipyridine molecules link the columns i ...[more]

PMID: 22346906

Similar Datasets

1,4-Bis(4-bromo-2,6-diisopropyl-phen-yl)-1,4-diaza-buta-1,3-diene.

Project description:The molecule of the title compound, C(26)H(34)Br(2)N(2), lies on a crystallographic inversion center and hence the two imine groups are s-trans. The dihedral angle between the central 1,4-diaza-buta-1,3-diene unit and the attached substituted phenyl ring is 88.4?(7)°. The structure features a C-H?N close contact. The crystal selected for this study proved to be a non-merohedral twin with a minor component of 21.8?(3)%.

| S-EPMC2980129 | biostudies-literature

Facile Access to Substituted 1,4-Diaza-2,3-Diborinines.

Project description:Several bis(dimethylamino)-substituted 1,4-diaza-2,3-diborinines (DADBs) were synthesized with variable substituents at the backbone nitrogen atoms. By reaction with HCl or BX3 (X=Br, I), these species were successfully converted into their synthetically more useful halide congeners. The high versatility of the generated B-X bonds in further functionalization reactions at the boron centers was demonstrated by means of salt elimination (MeLi) and commutation (NMe2 DADBs) reactions, thus making the DADB system a general structural motif in diborane(4) chemistry. A total of 18 DADB derivatives were characterized in the solid state by X-ray diffraction, revealing a strong dependence of the heterocyclic bonding parameters from the exocyclic substitution pattern at boron. According to our experiments towards the realization of a Dipp-substituted, sterically encumbered DADB, the mechanism of DADB formation proceeds via a transient four-membered azadiboretidine intermediate that subsequently undergoes ring expansion to afford the six-membered DADB heterocycle.

| S-EPMC7078994 | biostudies-literature

1,3,5-Tris(pyridin-3-yl)-2,4-diaza-penta-1,4-diene.

Project description:In the solid state, the structure of the title compound, C(18)H(15)N(5), is stabilized by weak C-H⋯N interactions. Mol-ecules are arranged in layers parallel to the bc plane forming an inter-esting supra-molecular structure.

| S-EPMC3295514 | 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

N-Methyl-d-glucamine-Calix[4]resorcinarene Conjugates: Self-Assembly and Biological Properties.

Project description:Deep insight of the toxicity of supramolecular systems based on macrocycles is of fundamental interest because of their importance in biomedical applications. What seems to be most interesting in this perspective is the development of the macrocyclic compounds with biocompatible fragments. Here, calix[4]resorcinarene derivatives containing N-methyl- d-glucamine moieties at the upper rim and different chemical groups at the lower rim were synthesized and investigated. These macrocycles showed a tendency to self-aggregate in aqueous solution, and their self-assembly abilities depend on the structure of the lower rim. The in vitro cytotoxic and antimicrobial activity of the calix[4]resorcinarenes revealed the relationship of biological properties with the ability to aggregate. Compared to macrocycles with methyl groups on the lower rim, calix[4]resorcinarenes with sulfonate groups appear to possess very similar antibacterial properties, but over six times less hemolytic activity. In some ways, this is the first example that reveals the dependence of the observed hemolytic and antibacterial activity on the lipophilicity of the calix[4]arene structure.

| S-EPMC6572135 | biostudies-literature

Benzene-1,3-diol-1,4-diaza-bicyclo-[2.2.2]octane (1/1).

Project description:There are two independent but virtually identical mol-ecules of each component in the asymmetric unit of the title 1:1 adduct, C(6)H(12)N(2)·C(6)H(6)O(2). In the crystal, the constituents are connected into a supra-molecular chain along the b axis by O-H?N hydrogen bonds. Weak C-H?O bonds cross-link the chains.

| S-EPMC3007329 | biostudies-literature

Bis[1-(2,3-di-methyl-phen-yl)piperazine-1,4-diium] bis-(oxonium) cyclo-hexa-phosphate dihydrate.

Project description:In the title compound, 2C12H20N2 (2+)·2H3O(+)·P6O18 (6-)·2H2O, a protonated water mol-ecule bridges the centrosymmetrical anionic P6O18 ring via O-H⋯O hydrogen bonds. The centrosymmetric hydrogen-bonded rings formed by four oxonium cations and four phosphate anions can be described by an R 4 (8)(36) graph-set motif. The ring motifs are connected by hydrogen bonds into inorganic layers perpendicular to [100]. The 1-(2,3-di-methyl-phen-yl)piperazine-1,4-diium cations are located between the layers, compensating their negative charge and establishing N-H⋯O hydrogen bonds with the O atoms of the anionic framework.

| S-EPMC3770409 | biostudies-literature

Tetra-aqua-bis-[N,N'-bis-(pyridin-3-yl-methyl-idene)benzene-1,4-diamine]-zinc dinitrate 1.49-hydrate.

Project description:In the title compound, [Zn(C(18)H(14)N(4))(2)(H(2)O)(4)](NO(3))(2)·1.49H(2)O, the Zn(II) atom, lying on an inversion center, is coordinated by two N atoms from two N,N'-bis-(pyridin-3-yl-methyl-idene)benzene-1,4-diamine ligands and four water mol-ecules in a distorted octa-hedral geometry. The nitrate anion is disordered over two sets of sites, with an occupancy ratio of 0.744?(4):0.256?(4). The uncoordinated water mol-ecule is also disordered with an occupancy factor of 0.744?(4). O-H?O and O-H?N hydrogen bonds link the complex cations, nitrate anions and uncoordinated water mol-ecules into a supra-molecular layer parallel to (102).

| S-EPMC3238659 | biostudies-literature

1,3-Bis(6-methyl-pyridin-2-yl)-1H-imidazol-3-ium hexa-fluoro-phosphate.

Project description:In the title salt, C17H19N4 (+)·PF6 (-), the two pyridine rings of the cation are inclined to one another by 15.89 (8)°, and inclined to the imidazole ring by 65.05 (10) and 64.07 (10)°. In the crystal, the cations and anions are linked via a series of C-H⋯N and C-H⋯F hydrogen bonds, forming two-dimensional networks lying parallel to (001).

| S-EPMC3629601 | biostudies-literature

1,1'-[(2-Phenyl-2,3-dihydro-1H-benz-imidazole-1,3-di-yl)bis-(methyl-ene)]bis-(1H-benzotriazole).

Project description:The imidazole ring in the title compound, C(27)H(22)N(8), adopts a slight envelope conformation with the C atom carrying the phenyl ring being the flap atom. The phenyl ring is almost perpendicular to the mean plane of the imidazole ring [dihedral angle = 88.90 (7)°]. The (1H-benzotriazol-1-yl)methyl groups bound to the imidazole ring are positioned on the same side of the imidazole ring. The dihedral angle between these benzotriazolyl rings is 17.71 (5)°. The crystal packing is stabilized by a C-H⋯π inter-action, which connects the mol-ecules into zigzag chains running along the b axis.

| S-EPMC3274994 | 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