Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bromidotricarbon-yl[2-phenyl-5-(pyridin-2-yl-?N)-1,3,4-oxadiazole-?N]rhenium(I) dichloro-methane monosolvate.

ABSTRACT: In the title rhenium(I) complex, [ReBr(C(13)H(9)N(3)O)(CO)(3)]·CH(2)Cl(2), the dichloro-methane solvent mol-ecule is disordered over two positions with an occupancy ratio of 0.81?(15):0.19?(15). The Re(I) atom is coordinated by two N atoms from a 2-phenyl-5-(pyridin-2-yl-?N)-1,3,4-oxadiazole (L) ligand, three C atoms from three carbonyl groups and a Br atom in a distorted octa-hedral geometry. The three rings in L are almost coplanar (a mean plane fitted through all non-H atoms of this ligand has an r.m.s. deviation of 0.063?Å), and the carbonyl ligands are coordinated in a fac arrangement.

SUBMITTER: Shi LF

PROVIDER: S-EPMC3050326 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Bromidotricarbon-yl[2-phenyl-5-(pyridin-2-yl-κN)-1,3,4-oxadiazole-κN]rhenium(I) dichloro-methane monosolvate.

Shi Lin-Fang LF Si Zhen-Jun ZJ Li Yan-Wei YW Cao Hua-Ru HR Guan Ying Y

Acta crystallographica. Section E, Structure reports online 20101218 Pt 1

In the title rhenium(I) complex, [ReBr(C(13)H(9)N(3)O)(CO)(3)]·CH(2)Cl(2), the dichloro-methane solvent mol-ecule is disordered over two positions with an occupancy ratio of 0.81 (15):0.19 (15). The Re(I) atom is coordinated by two N atoms from a 2-phenyl-5-(pyridin-2-yl-κN)-1,3,4-oxadiazole (L) ligand, three C atoms from three carbonyl groups and a Br atom in a distorted octa-hedral geometry. The three rings in L are almost coplanar (a mean plane fitted through all non-H atoms of this ligand ha ...[more]

PMID: 21522603

Similar Datasets

Bromidotricarbon-yl[2-(pyridin-2-yl-?N)-5-p-tolyl-1,3,4-oxadiazole-?N]rhenium(I) dichloro-methane monosolvate.

Project description:In the title compound, [ReBr(C(14)H(11)N(3)O)(CO)(3)]·CH(2)Cl(2), the coordination geometry of the Re(I) atom is a distorted ReC(3)N(2)Br octa-hedron with the carbonyl C atoms in a fac arrangement. Within the 2-(pyridin-2-yl)-5-p-tolyl-1,3,4-oxadiazole ligand, the dihedral angles between the oxadiazole ring and the pyridine (py) and benzene (bz) rings are 1.7?(2) and 7.1?(2)°, respectively, and the dihedral angle between the py and bz rings is 5.5?(2)°. In the crystal, aromatic ?-? stacking between the oxadiazole rings of adjacent mol-ecules [centroid-centroid separation = 3.465?(3)?Å] is seen.

| S-EPMC3050244 | biostudies-other

2-Phenyl-5-(p-tol-yl)-1,3,4-oxadiazole.

Project description:The title compound, C(15)H(12)N(2)O, adopts the expected near-planar geometry, the phenyl and tolyl rings being inclined relative to the oxadiazole ring by 3.8 (3) and 8.3 (2)°, respectively. This allows adjacent mol-ecules to pack in a parallel fashion and form stacking along [010] via π-π inter-actions [centroid-centroid distances = 3.629 (2) and 3.723 (2) Å]. Further inter-molecular inter-actions include C-H⋯π inter-actions and weak C-H⋯N hydrogen bonds, giving rise to a crossed herringbone packing motif.

| S-EPMC3152068 | biostudies-literature

2-[3,4-Dibut-oxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-thien-yl]-5-phenyl-1,3,4-oxadiazole.

Project description:In the title compound, C(28)H(28)N(4)O(4)S, the dihedral angles between the central thio-phene ring and its pendant oxadiazole rings are 1.2 (3) and 9.8 (3)°. The dihedral angles between the oxadiazole and phenyl rings are 2.9 (3) and 1.8 (3)°. Some short intra-molecular C-H⋯O contacts occur.

| S-EPMC2962053 | biostudies-literature

Chlordiazepoxide dichloro-methane monosolvate.

Project description:In the title compound (systematic name7-chloro-2-methyl-amino-5-phenyl-3H-1,4-benzodiazepine 4-oxide dichloro-meth-ane monosolvate), C(16)H(14)ClN(3)O·CH(2)Cl(2), the seven-membered ring adopts a boat conformation with the CH(2) group as the prow and the two aromatic C atoms as the stern. The dihedral angle between the benzene rings is 75.25 (6)°. The crystal structure features centrosymmetric pairs of chlordiazepoxide mol-ecules linked by pairs of N-H⋯O hydrogen bonds, which generate R(2) (2)(12) loops.

| S-EPMC3343976 | biostudies-literature

Bis[dicyclo-hexyl-(phenyl)-phosphane-κP]silver(I) perchlorate dichloro-methane monosolvate.

Project description:In the title compound, [Ag{P(C(6)H(11))(2)(C(6)H(5))}(2)]ClO(4)·CH(2)Cl(2), the Ag(I) atom in the mononuclear complex cation is coordinated by two P atoms of the phosphane ligands [Ag-P = 2.3993 (4) and 2.4011 (4) Å; P-Ag-P = 177.473 (18)°] and the perchlorate anion acts as the counter-anion. There is an Ag⋯O(perchlorate) inter-action of 2.873 (2) Å, which contributes to the slightly non-linear bond angle about the Ag(I) atom. Weak inter-molecular C-H⋯O hydrogen-bonding inter-actions involving phenyl, cyclo-hexyl and dichloro-methane H-atom donors and perchlorate O-atom acceptors contribute to the stabilization of the crystal structure.

| S-EPMC3099967 | biostudies-literature

Bis[(5-phenyl-1,3,4-thia-diazol-2-yl)sulfan-yl]methane.

Project description:The asymmetric unit of the title compound, C(17)H(12)N(4)S(4), contains one half-mol-ecule situated on a twofold rotational axis. In the mol-ecule, the thia-diazole and attached phenyl rings are twisted by 5.8?(3)°.

| S-EPMC3011391 | biostudies-literature

[Bis(pyridin-2-ylmeth-yl) ether]trichlorido-rhodium(III) dichloro-methane monosolvate: unusual hydrolysis of the methyl-ene bridge in (pyrazolylmeth-yl)pyridine.

Project description:In the title compound, [RhCl(3)(C(12)H(12)N(2)O)]·CH(2)Cl(2), the Rh(III) atom shows a slightly distorted octa-hedral geometry being coordinated by two N atoms and one O atom from the 2,2'-(oxydimethanedi-yl)dipyridine ligand and three Cl atoms. Two Cl atoms adopt a trans arrangement to the two pyridyl N atoms, while the third Cl atom and the O atoms occupy the axial site. The Rh-Cl bonds that are trans to the pyridyl N atoms are slightly longer than the Rh-Cl bond distance trans to the O atom.

| S-EPMC3212169 | biostudies-literature

5-[1-(3,4-Dichloro-phen-oxy)eth-yl]-1,3,4-oxadiazole-2(3H)-thione hemihydrate.

Project description:In the title compound, C(10)H(8)Cl(2)N(2)O(2)S·0.5H(2)O, the atoms in the oxadiazole ring are essentially coplanar (r.m.s. deviation 0.010?Å). The crystal structure is stabilized by inter-molecular N-H?O hydrogen bonds involving the water mol-ecule, which is situated on an a twofold rotation axis, and two organic mol-ecules, leading to a thione tautomer in the solid state. The C atom attached to the oxadiazole ring adopts a typical sp(3) hybridization. The dihedral angle between the mean plane of the benzene ring of the dichloro-phenyl group and the mean plane of the oxadiazole ring is 74.18?(4)°. The crystal structure is stabilized by intermolecular N-H?O and O-H?S hydrogen bonds.

| S-EPMC2970152 | biostudies-literature

Butyl-trichlorido{2-[(diisopropyl-ammonio)-meth-yl]phen-yl}tin(IV) dichloro-methane monosolvate.

Project description:The title compound, [Sn(C(4)H(9))(C(13)H(21)N)Cl(3)]·CH(2)Cl(2), was obtained by recrystallization of [2-(diisopropyl-amino-meth-yl)phen-yl]tin(IV) butyl dichloride from a CH(2)Cl(2)/n-hexane mixture (1:4 v/v) in the presence of ambient moisture. Partial hydrolysis led to the title compound, the hydro-chloric acid adduct of the dichloride, having a penta-coordinated Sn atom with a trigonal-bipyramidal C(2)SnCl(3) core. The N atom of the 2-[(diisopropyl-ammonio)-meth-yl]phenyl ligand forms a strong intra-molecular N-H?Cl hydrogen bond, resulting in a zwitterionic species, [2-((i)Pr(2)HN(+)CH(2))C(6)H(4)]SnBuCl(3) (-)·CH(2)Cl(2). Disorder was found in the n-butyl group, which was refined as disordered over three positions, with site occupancies of 0.22?(1), 0.51?(1) and 0.27?(2).

| S-EPMC3050250 | biostudies-literature

4,6-Bis(diphenyl-phosphan-yl)-2,8-di-methyl-phenoxathiin dichloro-methane monosolvate.

Project description:The title compound, C(38)H(30)OP(2)S·CH(2)Cl(2), belongs to the xanthene family of ligands containing S- and O-donor atoms in the central heterocylic ring. Positions 2 and 8 on the xanthene backbone are functionalized with methyl groups to allow for the selective functionalization of the backbone at positions 4 and 6 with diphenyl-phosphanyl units. The title compound shows a significant 'roof-like' bending along the axis of planarity involving the O- and S-donor atoms and the benzene rings, resulting in a dihedral angle between the mean planes of the benzene rings of 32.88?(13)°.

| S-EPMC3344001 | 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