Browse
Submit Data
Databases
API
Help

Dataset Information

11 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

8-(Biphenyl-2-yl)-7,9-diphenyl-8H-cyclo-penta-[a]acenaphthylen-8-ol.

ABSTRACT: In the title compound, C(39)H(26)O, the cyclo-penta-[a]acenaphthyl-ene skeleton displays the expected distortions, with formal sp(2) bond angles as high as C-C-C = 142.50 (10)°. The OH group forms inter-molecular hydrogen bonds via x-axis translation to the centroid (Cg) of the pendant phenyl ring of the biphenyl system, with H⋯Cg = 2.41 Å and O-H⋯Cg = 153°.

SUBMITTER: Jones PG

PROVIDER: S-EPMC2968992 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

N,N-Bis(diphenyl-phosphan-yl)cyclo--penta-namine.

Project description:The coordination around the N atom in the title compound, C(29)H(29)NP(2), shows an almost planar geometry, defined by the attached P and C atoms, in order to accomodate the steric bulk of the phenyl rings. The distortion of the trigonal-pyramidal geometry of the N atom is illustrated by the bond angles ranging between 115.22?(12) and 121.76?(9)°. The P atoms present a pyramidal environment with bond angles ranging from 100.62?(9) to 104.71?(8)°. One of the C atoms in the cyclo-pentyl ring displays a 0.822?(4):0.178?(4) positional disorder. Within the crystal structure, intra-molecular C-H?P hydrogen bonds together with inter- and intra-molecular C-H?? inter-actions link the mol-ecules into a supra-molecular two-dimensional network.

| S-EPMC3011404 | biostudies-literature

Chlorido(chloro-diphenyl-phosphine-?P)(diphenyl-piperidinophosphine-?P)(?-penta-methyl-cyclo-penta-dien-yl)ruthenium(II).

Project description:The title compound, [Ru(C(10)H(15))Cl(C(12)H(10)ClP)(C(17)H(20)NP)], is a half-sandwich complex of Ru(II) with the chloro-diphenyl-phosphine ligand formed from the diphenyl-piperidinophosphine and chlorine of the precursor complex [Ru(?(5)-C(5)Me(5))(?(1)P-Ph(2)PNC(5)H(10))Cl(2)] by an unexpected reaction with NaBH(4). The complex has a three-legged piano-stool geometry, with Ru-P bond lengths of 2.2598?(5)?Å for the chloro-phosphine and 2.3303?(5)?Å for the amino-phosphine.

| S-EPMC2977503 | biostudies-literature

trans-Acetyl-dicarbon-yl(?(5)-cyclo-penta-dien-yl)(methyl-diphenyl-phosphane)molybdenum(II).

Project description:The title compound, [Mo(C(5)H(5))(C(2)H(3)O)(C(13)H(13)P)(CO)(2)], was prepared by reaction of [Mo(CH(3))(C(5)H(5))(CO)(3)] with methyl-diphenyl-phosphane. The Mo(II) atom exhibits a four-legged piano-stool coordination geometry with the acetyl and phosphane ligands trans to each other. There are several inter-molecular C-H?O hydrogen-bonding inter-actions involving carbonyl and acetyl O atoms as acceptors. A close nearly parallel ?-? inter-action between the cyclo-penta-dienyl plane and the phenyl ring of the phosphane ligand is present, with an angle of 6.4?(1)° between the two least-squares planes. The centroid-to-centroid distance between these groups is 3.772?(3)?Å, and the closest distance between two atoms of these groups is 3.449?(4)?Å. Since each Mo complex is engaged in two of these inter-actions, the complexes form an infinite ?-stack coincident with the a axis.

| S-EPMC3435585 | biostudies-literature

2-[(Cyclo-penta-1,3-dien-2-yl)diphenyl-meth-yl]-1-methyl-1H-imidazole.

Project description:The title compound, C(22)H(20)N(2), (Ib), forms along with 2-[(cyclo-penta-1,3-dien-1-yl)diphenyl-meth-yl]-1-methyl-1H-imid-azole, (Ia), which differs with respect to the position of the double-bonds in the C(5)H(5) ring, in an approximately 3:7 ratio (Ia:Ib; NMR spectroscopy data). However, in a single crystal, only compound (Ib) is present. H atoms of the CH(2) group (C(5)H(5) ring) were found from the difference Fourier synthesis and refined isotropically using the riding model. Hypothesis on possible presence of the (Ia) isomer in crystal lattice (model with a C(5)H(5) ring disordered between two positions) was especially checked and rejected due to its inconsistency. In the crystal structure, no significant hydrogen-bonding inter-actions between the CH(2) groups of the C(5)H(5) rings and nonsubstituted N-atoms of the imidazole rings were observed. Despite the fact that the chemically achiral compound (I) crystallizes in a chiral space group P2(1)2(1)2(1), neither the absolute structure determination nor assignment of the inversion twinning was possible in the absence of a heavy atom.

| S-EPMC2979705 | biostudies-literature

[1,2-Bis(dimethyl-phosphino)ethane]carbon-yl(?-cyclo-penta-dien-yl)iron(II) diphenyl-phosphinoylborate.

Project description:In the title compound, [Fe(C(5)H(5))(C(6)H(16)P(2))(CO)](C(12)H(13)BOP), the Fe(II) ion adopts a three-legged piano-stool geometry, with Fe?Cg = 1.721?(5)Å (Cg = the centroid defined by the C atoms of the cyclo-penta-dienyl ring). The 1,2-bis-(dimethyl-phosphino)ethane (dmpe) ligand chelates to form a five-membered C(2)P(2)Fe ring which is in a pseudo-half-chair conformation. In the crystal structure, associations of one cation and two anions are formed via weak inter-molecular C-H?O hydrogen bonds, giving rise to R(4) (2)(9) rings.

| S-EPMC2960313 | biostudies-literature

[1,2-Bis(diphenyl-phosphino)ethane]-chlorido(?-penta-methyl-cyclo-penta-dien-yl)iron(II) dichloro-methane solvate.

Project description:In the title compound, [Fe(C(10)H(15))Cl(C(26)H(24)P(2))]·CH(2)Cl(2), the Fe(II) atom is coordinated by two P atoms from a 1,2-bis-(diphenyl-phosphino)ethane ligand [Fe-P = 2.2130?(7) and 2.2231?(7)?Å], a chloride anion [Fe-Cl = 2.3329?(7)?Å] and a penta-methyl-cyclo-penta-dienyl (Cp*) ligand [Fe-centroid(Cp*) = 1.732?(3)?Å] in a typical piano-stool geometry. In the crystal structure, the complex and solvent mol-ecules are paired via weak C-H?Cl inter-actions.

| S-EPMC3007507 | biostudies-literature

2-(Biphenyl-4-yl)propan-2-ol.

Project description:The title compound, C(15)H(16)O, crystallizes with two independent mol-ecules in the asymmetric unit. Due to the space-group symmetry, this results in the formation of a tetra-mer where the four mol-ecules are connected by O-H?O hydrogen bonds. The mol-ecules pack parallel to the c axis. Both mol-ecules in the asymmetric unit are nonplanar and the dihedral angles between connected aromatic rings in each mol-ecule are 7.96?(12) and 9.75?(13)°. This contrasts with the gas phase density functional theory (DFT) optimized conformation, where this dihedral angle is 39.33°.

| S-EPMC3297307 | biostudies-literature

Crystal structures of trans-acetyl-dicarbon-yl(?(5)-cyclo-penta-dien-yl)(di-methyl-phenyl-phosphane)molybdenum(II) and trans-acetyl-dicarbon-yl(?(5)-cyclo-penta-dien-yl)(ethyl-diphenyl-phosphane)molybdenum(II).

Project description:The title compounds, [Mo(C5H5)(COCH3)P(CH3)2(C6H5)(CO)2], (1), and [Mo(C5H5)(COCH3)P(C2H5)(C6H5)2)(CO)2], (2), have been prepared by phosphine-induced migratory insertion from [Mo(C5H5)(CO)3(CH3)]. Both complex mol-ecules exhibit a four-legged piano-stool geometry with trans-disposed carbonyl ligands along with Mo-P bond lengths and C-Mo-P angles that reflect the relative steric pressure of the respective phosphine ligand. The structure of compound (1) exhibits a layered arrangement parallel to (100). Within the layers mol-ecules are linked into chains along [001] by non-classical C-H?O inter-actions between the acetyl ligand of one mol-ecule and the phenyl and methyl phosphine substituents of another. In the structure of complex (2), a chain motif of centrosymmetrical dimers is found along [010] through C-H?O inter-actions.

| S-EPMC4257160 | biostudies-literature

Chlorido[1-diphenyl-phosphanyl-3-(phenyl-sulfan-yl)propane-?(2)P,S](?(5)-penta-methyl-cyclo-penta-dien-yl)iridium(III) chloride monohydrate.

Project description:The crystal structure of the title compound, [Ir(C(10)H(15))Cl(C(21)H(21)PS)]Cl·H(2)O, consists of discrete [Ir(?(5)-C(5)Me(5))Cl{Ph(2)P(CH(2))(3)SPh-?P,?S}](+) cations, chloride anions and water mol-ecules. The Ir(III) atom is coordinated by an ?(5)-C(5)Me(5) ligand, a chloride and a Ph(2)P(CH(2))(3)SPh-?P,?S ligand, leading to a three-legged piano-stool geometry. In the crystal, two water molecules and two chloride anions are linked by weak O-H?Cl hydrogen bonding into tetra-mers that are located on centers of inversion. The H atoms of one of the methyl groups are disordered and were refined using a split model.

| S-EPMC3379193 | biostudies-literature

{2-[(?-Cyclo-penta-dien-yl)diphenyl-meth-yl]-1H-imidazolido-?N}bis-(N,N-diethyl-amido)-titanium(IV).

Project description:The chemically achiral title mol-ecule, [Ti(C(4)H(10)N)(2)(C(21)H(16)N(2))], crystallizes in the chiral space group P2(1). All three N atoms coordinating to the Ti(IV) atom adopt planar environments [sums of valence angles = 359.5?(6), 360.0?(7) and 360.0?(6)°], which is indicative of p?-d? donation from all of these N atoms to the metal and, thus, of the formal 18?e(-) nature of the complex. The overall coordination about the Ti(IV) atom is distorted tetra-hedral, assuming the cyclo-penta-dienyl ring occupies one coordination site. The Ti-N(imidazole) amide-type bond is longer by approximately 0.16?Å than the other two Ti-N(amide) bonds.

| S-EPMC3089115 | 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