Browse
Submit Data
Databases
API
Help

Dataset Information

13 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(Biphenyl-2-yl)bromidobis(2-methyl-tetra-hydro-furan-?O)magnesium(II).

ABSTRACT: In the title Grignard reagent, [MgBr(C(12)H(9))(C(5)H(10)O)(2)], the Mg centre adopts a distorted tetra-hedral MgCO(2)Br arrangement. The dihedral angle between the two aromatic rings of the biphenyl residue is 44.00?(14)°. Each mol-ecule incorporates one R- and one S-configured 2-methyl-tetra-hydro-furan mol-ecule.

SUBMITTER: Nordschild S

PROVIDER: S-EPMC2977557 | biostudies-literature | 2009 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(Biphenyl-2-yl)bromidobis(2-methyl-tetra-hydro-furan-κO)magnesium(II).

Nordschild Simon S Wohlgemuth D D Bolte Michael M

Acta crystallographica. Section E, Structure reports online 20090408 Pt 5

In the title Grignard reagent, [MgBr(C(12)H(9))(C(5)H(10)O)(2)], the Mg centre adopts a distorted tetra-hedral MgCO(2)Br arrangement. The dihedral angle between the two aromatic rings of the biphenyl residue is 44.00 (14)°. Each mol-ecule incorporates one R- and one S-configured 2-methyl-tetra-hydro-furan mol-ecule. ...[more]

PMID: 21583743

Similar Datasets

cis-Dichlorido[4,4,5,5-tetra-methyl-2-(2-pyrid-yl)-2-imidazoline-1-ox-yl]-palladium(II) tetra-hydro-furan hemi-solvate.

Project description:The asymmetric unit of the title complex, [PdCl(2)(C(12)H(16)N(3)O)]·0.5C(4)H(8)O, consists of one palladium complex in a general position and one half tetra-hydro-furan (THF) solvent mol-ecule, with the O atom lying on a twofold rotation axis. The Pd(II) atom is bound to one chelating imino nitroxide radical through two N atoms, one from the pyridyl ring and the other from the imidazoline ring. The coordination of the metal centre is completed by two Cl atoms in a cis configuration, leading to a quasi-square-planar coordination of the metal centre. The four atoms that define the Pd(II) coordination environment and the eight atoms that belong to the pyridylimine fragment are coplanar, with no deviation larger than 0.087?(5)?Å. In the crystal structure, inter-molecular inter-actions shorter than the corresponding van der Waals radii sum are observed only between Pd(II) complexes, and no short contact is observed around the THF mol-ecule. Weak C-H?O and C-H?Cl inter-actions yield a two-dimensional network of complexes in the (101) plane.

| S-EPMC2960750 | biostudies-literature

Redetermination of di-?-hydrido-hexa-hydridotetra-kis(tetra-hydro-furan)dialuminium(III)magnesium(II).

Project description:The structure of the title compound, [Mg(AlH(4))(2)(C(4)H(8)O)(4)], has been redetermined at 150?K. The Mg(II) ion is hexa-coordinated to four tetra-hydro-furan (THF) ligands, and two AlH(4) (-) anions through bridging H atoms. The Al-H distances are more precise compared to those previously determined [Nöth et al. (1995 ?). Chem. Ber. 128, 999-1006; Fichtner & Fuhr (2002 ?). J. Alloys Compd, 345, 386-396]. The mol-ecule has twofold rotation symmetry.

| S-EPMC2979026 | biostudies-literature

Triphen-yl(tetra-hydro-furan)-aluminium(III).

Project description:In the title compound, [Al(C(6)H(5))(3)(C(4)H(8)O)], the Al atom has a distorted tetra-hedral geometry. The C-Al-C angles range from 113.25?(7) to 116.27?(8)°, much larger than the O-Al-C angles, which range from 103.39?(7) to 103.90?(6)°. The tetra-hydro-furan ring adopts an envelope conformation. The crystal packing is stabilized by C-H?? inter-actions.

| S-EPMC2959725 | biostudies-literature

2,2,7,7-Tetra-methyl-2,3,6,7-tetra-hydro-benzofuro[7,6-b]furan.

Project description:The title compound, C(14)H(18)O(2), was obtained as a by-product during the preparation of carbofuran phenol. The two dihydro-furan rings are in envelope conformations.

| S-EPMC2983516 | biostudies-literature

(E)-2-[(Furan-2-yl)methyl-idene]-7-methyl-2,3,4,9-tetra-hydro-1H-carbazol-1-one.

Project description:In the title mol-ecule, C(18)H(15)NO(2), the atoms in the carbazole unit deviate from planarity [maximum deviation from mean plane = 0.1317?(12)?Å]. The pyrrole ring makes dihedral angles of 1.01?(8) and 18.56?(10)° with the benzene and furan rings, respectively. The cyclo-hexene ring adopts a half-chair conformation. In the crystal, pairs of N-H?O hydrogen bonds form an R(2) (2)(10) ring. Mol-ecules are further linked by C-H?O and C-H?? inter-actions, forming a three-dimensional network.

| S-EPMC3569219 | biostudies-literature

(E)-2-(Furan-2-yl-methyl-idene)-8-methyl-2,3,4,9-tetra-hydro-1H-carbazol-1-one.

Project description:In the title mol-ecule, C(18)H(15)NO(2), the carbazole unit is not planar [maximum deviation from mean plane = 0.236?(2)?Å]. The pyrrole ring makes dihedral angles of 1.21?(10) and 16.74?(12)° with the benzene and the furan rings, respectively. The cyclo-hexene ring adopts a half-chair conformation. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds generate R(2) (2)(10) loops.

| S-EPMC3011638 | biostudies-literature

cis-Dichloridobis[2-(hydroxy-meth-yl)tetra-hydro-furan-?O,O']manganese(II).

Project description:The structure of the title compound, [MnCl(2)(C(5)H(10)O(2))(2)], was solved from low-temperature data collected at 100?(2)?K. The asymmetric unit contains one half-mol-ecule with the Mn(II) ion located on a twofold axis. A distorted octa-hedral environment around the Mn atom is formed by two ether and two hydroxyl O atoms of two 2-(hydroxy-methyl)tetra-hydro-furan ligands, and by two chloride ions. The chelating tetra-hydro-furan ligands, which form five-membered rings, are cis oriented. The crystal structure is stabilized by hydrogen bonding between the coordinated OH groups and the chloride ions.

| S-EPMC2961271 | biostudies-literature

(R)-N-Methyl-4-[2-(methyl-sulfan-yl)pyrimidin-4-yl]-1-(tetra-hydro-furan-3-yl)-1H-pyrazol-5-amine.

Project description:The chiral center at the substituted atom of the tetra-hydro-furanyl ring in the title compound, C(13)H(17)N(5)OS, has an R configuration. The methyl-sulfanylpyrimidine group and the pyrazole ring are almost coplanar [the maximum deviation from this plane is 0.070?(4)?Å], the N-Me substituent being displaced from the methyl-sulfanylpyrimidine-pyrazole plane by 0.880?(4)?Å. The secondary amine group participates in an intra-molecular hydrogen bond with the pyrimidine N atom in position 3.

| S-EPMC2968494 | biostudies-literature

Racemic N-methyl-4-[2-(methyl-sulfan-yl)-pyrimidin-4-yl]-1-(tetra-hydro-furan-3-yl)-1H-pyrazol-5-amine.

Project description:The title compound, C(13)H(17)N(5)OS, was obtained by cyclo-addition of 2-[2-(methyl-sulfan-yl)pyrimidin-4-yl]-3-oxo-propane-nitrile with (tetra-hydro-furan-3-yl)hydrazine dihydro-chloride and subsequent N-methyl-ation of 4-[2-(methyl-sulfan-yl)-pyrimidin-4-yl]-1-(tetra-hydro-furan-2-yl)-1H-pyrazol-5-amine with methyl iodide. The two mol-ecules in the asymmetric unit have opposite absolute configurations and are related by a noncrystallographic inversion center. Both feature intra-mol-ecular N-H?N hydrogen bonds. The geometry of the mol-ecules is similar to that observed in the structure of a single enanti-omer of the title compound.

| S-EPMC2977768 | biostudies-literature

Chloridonitros-yl[meso-5,10,15,20-tetra-kis-(p-tol-yl)porphyrinato-?N,N',N'',N''']osmium(II) tetra-hydro-furan tetra-solvate.

Project description:The title compound, [OsCl(NO)(C(48)H(36)N(4))]·4C(4)H(8)O, is a six-coordinate osmium(II) porphyrin complex with nitrosyl (NO) and chloride (Cl) ligands trans to each other in an octa-hedral geometry. The metal complex lies on a fourfold rotation axis that passes through the Os, N, O and Cl atoms. The NO and Cl ligands are disordered in an 0.511?(12):0.486?(12) ratio.

| S-EPMC3051540 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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