Browse
Submit Data
Databases
API
Help

Dataset Information

23 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

5,5'-Bis[(2,2,2-trifluoro-eth-oxy)meth-yl]-2,2'-bipyridine.

ABSTRACT: The complete molecule of the title compound, C(16)H(14)F(6)N(2)O(2), is generated by crystallographic inversion symmetry, which results in two short intramolecular C-H?N hydrogen-bond contacts per molecule. In the crystal, aromatic ?-? stacking [centroid-centroid distance = 3.457?(2)?Å] and weak C-H?? inter-actions occur. A short H?H [2.32?(3)?Å] contact is present.

SUBMITTER: Lu N

PROVIDER: S-EPMC3051693 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

5,5'-Bis[(2,2,2-trifluoro-eth-oxy)meth-yl]-2,2'-bipyridine.

Lu Norman N Tu Wen-Han WH Chang Wei-Hsuan WH Wu Zong-Wei ZW Su Han-Chang HC

Acta crystallographica. Section E, Structure reports online 20110112 Pt 2

The complete molecule of the title compound, C(16)H(14)F(6)N(2)O(2), is generated by crystallographic inversion symmetry, which results in two short intramolecular C-H⋯N hydrogen-bond contacts per molecule. In the crystal, aromatic π-π stacking [centroid-centroid distance = 3.457 (2) Å] and weak C-H⋯π inter-actions occur. A short H⋯H [2.32 (3) Å] contact is present. ...[more]

PMID: 21523035

Similar Datasets

5,5'-Bis[(trimethyl-silyl)meth-yl]-2,2'-bipyridine.

Project description:The mol-ecule of the title compound, C(18)H(28)N(2)Si(2), occupies a special position on an inversion centre. The Si-CH(2)-C(ipso) plane is approximately orthogonal to the plane of the pyridine rings, the corresponding dihedral angle being 82.0 (2)°.

| S-EPMC2960436 | biostudies-literature

5,5'-Bis[(1H-imidazol-1-yl)meth-yl]-2,2'-bipyridine methanol disolvate.

Project description:The title compound, C(18)H(16)N(6)·2CH(3)OH, was prepared by the reaction of 5,5'-bis-(bromo-meth-yl)-2,2'-bipyridine with imidazole. The main mol-ecule lies on an inversion center located at the mid-point of the C-C bond joining the two pyridine rings. The asymmetric unit therefore contains one half-mol-ecule and one methanol solvent mol-ecule. The dihedral angle between the pyridine and imidazole rings is 72.32 (5)°. In the crystal, weak inter-molecular O-H⋯N, C-H⋯N and C-H⋯O hydrogen bonds contribute to the stabilization of the packing.

| S-EPMC3051999 | biostudies-literature

Diethyl [2,2,2-trifluoro-1-phenyl-sulfonyl-amino-1-(trifluoro-meth-yl)eth-yl]phospho-nate.

Project description:The title compound, C(13)H(16)F(6)NO(5)PS, is of inter-est with respect to inhibition of serine hydro-lases. Its structure contains a 1.8797 (13) Å P-C bond and two inter-molecular N-H⋯O=P hydrogen bonds, resulting in centrosymmetric dimers. An intra-molecular N-H⋯O=P hydrogen bond is also present.

| S-EPMC2600860 | biostudies-literature

(R)-2,2'-Bis(meth-oxy-meth-oxy)-1,1'-binaphth-yl.

Project description:The asymmetric unit of the title compound, C(24)H(22)O(4), contains two independent mol-ecules in both of which the naphthalene ring systems adopts a transoid arrangement. The dihedral angles between the naphthalene ring system in the two mol-ecules are 83.0?(1) and 89.0?(1)°. There are slight differences in the C(H(3))-O-C(H(2))-O- torsion angles of the eqivalent meth-oxy-meth-oxy groups. In the crystal, weak C-H?O hydrogen bonds are present.

| S-EPMC3344493 | biostudies-literature

3-Ethyl-4-phen-oxy-1-(2,2,2-trifluoro-eth-yl)-1H-pyrazol-5-ol.

Project description:The title compound, C(13)H(13)F(3)N(2)O(2), crystallizes with two independent mol-ecules in the asymmetric unit, with different conformations of their ethyl side chains. The dihedral angles formed between the 1H-pyrazole and benzene rings in the two mol-ecules are 79.44?(6) and 77.81?(6)°. In the crystal, mol-ecules are linked by O?H-N hydrogen bonds into chains propagating along [001] and the packing is further stabilized by ?-? inter-actions [centroid-centroid separations = 3.5409?(10) and 3.6335?(10)?Å].

| S-EPMC3007551 | biostudies-literature

Acrinathrin: (S)-cyano-(3-phen-oxy-phenyl)methyl (Z)-(1R,3S)-2,2-dimethyl-3-{2-[2,2,2-trifluoro-1-(trifluoro-methyl)eth-oxy-carbon-yl]vin-yl}cyclo-propane-1-carboxyl-ate.

Project description:In the title compound, C(26)H(21)F(6)NO(5), the dihedral angle between the cyclo-propane ring plane and the vinyl group plane is 79.3?(3)°. The dihedral angle between the benzene and phenyl ring planes in the phen-oxy-benzyl group is 82.7?(1)°. In the crystal structure, weak inter-molecular C-H?? inter-actions and C-H?F hydrogen bonds contribute to the stabilization of the packing.

| S-EPMC3089073 | biostudies-literature

Poly[(?(2)-2,2'-bipyridine-?N:N')bis-(?(3)-2,2,2-trifluoro-acetato-?O:O:O')disilver(I)].

Project description:In the title salt, [Ag(2)(CF(3)CO(2))(2)(C(10)H(8)N(2))](n), which may also be regarded as a coordination polymer if long Ag?O inter-actions are considered, each of the N atoms of the somewhat twisted 2,2'-bipyridine mol-ecule [N-C-C-N = -27.5?(4)°] binds to an Ag atom, and each of the carboxyl-ate ligands is tridentate, linking to three Ag atoms. The bidentate carboxyl-ate O atoms bridge the same two Ag atoms, resulting in the formation of Ag(2)O(2) rings. These rings are bridged by the 2,2'-bipyridine ligands, forming a chain along the b axis. The chains are linked into double chains via the remaining Ag-O bonds and Ag?Ag contacts. As a consequence of the Ag?Ag contacts, the NO(4) donor set about each Ag atom is heavily distorted. Finally, the chains are linked into a three-dimensional network by a combination of C-H?O and C-H?F inter-actions.

| S-EPMC2983243 | biostudies-literature

2-{[3-Methyl-4-(2,2,2-trifluoro-eth-oxy)pyridin-2-yl]methyl-sulfan-yl}-1H-benzimidazole monohydrate.

Project description:The asymmetric unit of the title compound, C(16)H(14)F(3)N(3)OS·H(2)O, contains two independent mol-ecules (A and B) and two water mol-ecules, one of which is disordered over two positions in a 0.790 (8):0.210 (8) ratio. The mol-ecular conformations are close, the benzimidazole mean plane and pyridine ring forming dihedral angles of 1.8 (3) and 0.1 (2)° in mol-ecules A and B, respectively. The water mol-ecules are involved in formation of two independent hydrogen-bonded chains via N-H⋯O and O-H⋯N hydrogen bonds. Chains propagating along the a axis are formed by mol-ecule A and one independent water mol-ecule, while chains propagating along the b axis are formed by mol-ecule B and the other independent water mol-ecule. The crystal packing exhibits π-π inter-actions, as indicated by short distances of 3.607 (3) and 3.701 (3) Å between the centroids of the imidazole and pyridine rings of neighbouring mol-ecules.

| S-EPMC3051707 | biostudies-literature

Di-μ-hydroxido-κO:O-μ-trifluoro-methane-sulfonato-κO:O'-bis-[(5,5'-dimethyl-2,2-bipyridine-κN,N')(η-penta-methyl-cyclo-penta-dien-yl)ytterbium(III)] tetra-phenyl-borate 5,5'-dimethyl-2,2-bipyridine.

Project description:The title compound, [Yb(2)(CF(3)O(3)S)(C(10)H(15))(2)(OH)(2)(C(12)H(12)N(2))(2)](C(24)H(20)B)·C(12)H(12)N(2), crystallizes as a half-sandwich complex with a bridging trifluoro-methane-sulfonate as well as two bridging hydroxide groups. The bound bipyridine ligands have N-C-C-N torsion angles of 13.1 (9) and -12.1 (8)°. The structure also contains an uncoordinated 5,5'-dimethyl-2,2'-bipyridine molecule with an N-C-C-N torsion angle of 169.5 (7)°. The triply bridged Yb centers are 3.5990 (4) Å apart. The Yb-N bond lengths are in the range 2.389 (6)-2.424 (5) Å.

| S-EPMC2960390 | biostudies-literature

1-{2-Phenyl-2-[4-(trifluoro-meth-yl)-benzyl-oxy]eth-yl}-1H-benzimidazole.

Project description:The asymmetric unit of the crystal structure of the title compound, C(23)H(19)F(3)N(2)O, contains two independent mol-ecules. In the two mol-ecules the planar benzimidazole ring systems are oriented with respect to the phen-yl/trifluoro-methyl-benzene rings at dihedral angles of 9.62?(6)/78.63?(7) and 2.53?(8)/83.83?(9)°. In the crystal structure, inter-molecular C-H?N hydrogen bonds link the mol-ecules into R(2) (2)(6) dimers. The mol-ecules are elongated along [001] and stacked along the b axis.

| S-EPMC2962243 | 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