Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Two polymorphs of chlorido(cyclohexyldiphenylphosphine)gold(I).

ABSTRACT: The title compound, [AuCl(C(18)H(21)P)], a monomeric two-coordinate gold(I) complex, has been characterized at 100 K as two distinct monoclinic polymorphs, one from a single crystal, (Is), and one from a pseudo-merohedrally twinned crystal, (It). The molecular structures in the two monoclinic [P2(1)/n for (Is) and P2(1)/c for (It)] polymorphs are similar; however, the packing arrangements in the two lattices differ considerably. The structure of (It) is pseudo-merohedrally twinned by a twofold rotation about the a* axis.

SUBMITTER: Guzei IA

PROVIDER: S-EPMC2855583 | biostudies-literature | 2010 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Two polymorphs of chlorido(cyclohexyldiphenylphosphine)gold(I).

Guzei Ilia A IA Arachchige Indika I Ivanov Sergei A SA

Acta crystallographica. Section C, Crystal structure communications 20100203 Pt 3

The title compound, [AuCl(C(18)H(21)P)], a monomeric two-coordinate gold(I) complex, has been characterized at 100 K as two distinct monoclinic polymorphs, one from a single crystal, (Is), and one from a pseudo-merohedrally twinned crystal, (It). The molecular structures in the two monoclinic [P2(1)/n for (Is) and P2(1)/c for (It)] polymorphs are similar; however, the packing arrangements in the two lattices differ considerably. The structure of (It) is pseudo-merohedrally twinned by a twofold r ...[more]

PMID: 20203394

Similar Datasets

(Benzyl-diphenyl-phosphane)chlorido-gold(I).

Project description:In the title compound, [AuCl(C(19)H(17)P)], the Au(I) atom exists within a P and Cl donor set that constitutes an almost linear geometry. The three phenyl rings make dihedral angles of 38.33?(14), 81.26?(15) and 81.28?(14)° with each other. In the crystal, mol-ecules are linked into chains along the b axis by inter-molecular C-H?Cl hydrogen bonds.

| S-EPMC3011516 | biostudies-literature

Chlorido[tris-(3-fluoro-phen-yl)phosphine]gold(I).

Project description:In the title gold complex, [AuCl(C(18)H(12)F(3)P)], the P-Au-Cl unit is nearly linear, with an angle of 178.13 (5)°. The three phosphine-substituted benzene rings make dihedral angles of 77.7 (3), 84.4 (3) and 77.4 (3)° with each other. Two of the three F atoms are disordered over two positions, with refined site occupancies of 0.591 (11):0.409 (11) and 0.730 (12):0.270 (12). In the crystal structure, mol-ecules are linked into a three-dimensional network by inter-molecular C-H⋯Cl and C-H⋯F hydrogen bonds.

| S-EPMC2983311 | biostudies-literature

Chlorido[2-(diphenyl-phos-phino)-aceto-phenone]gold(I).

Project description:In the crystal structure of the title compound, [AuCl(C(20)H(17)OP)], the phosphine acts as a monodentate ligand. The Au atoms are attached solely to the P and Cl atoms. The coordination is linear without any tendency to aggregate via aurophilic inter-actions.

| S-EPMC2915127 | biostudies-literature

Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs.

Project description:At the atomic-cluster scale, pure boron is markedly similar to carbon, forming simple planar molecules and cage-like fullerenes. Theoretical studies predict that two-dimensional (2D) boron sheets will adopt an atomic configuration similar to that of boron atomic clusters. We synthesized atomically thin, crystalline 2D boron sheets (i.e., borophene) on silver surfaces under ultrahigh-vacuum conditions. Atomic-scale characterization, supported by theoretical calculations, revealed structures reminiscent of fused boron clusters with multiple scales of anisotropic, out-of-plane buckling. Unlike bulk boron allotropes, borophene shows metallic characteristics that are consistent with predictions of a highly anisotropic, 2D metal.

| S-EPMC4922135 | biostudies-literature

Crystal structures of two polymorphs of tixocortol pivalate.

Project description:Two polymorphs, (I) and (II), of (S)-{2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihy-droxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-deca-hydro-1H-cyclo-penta-[a]phenanthren-17-yl]-2-oxoeth-yl} 2,2-di-methyl-propane-thio-ate, C26H38O5S, have been identified. They are ortho-rhom-bic, non-centrosymmetric (P212121). The structures display layers of mol-ecules conected via O-H⋯O hydrogen bonds along the b-axis direction in polymorph (I) and along the c-axis direction in polymorph (II). The structure of (II) exhibits disorder of the main mol-ecule.

| S-EPMC8340970 | biostudies-literature

Two ortho-rhom-bic polymorphs of hydro-morphone.

Project description:Conditions to obtain two polymorphic forms by crystallization from solution were determined for the analgesic drug hydro-morphone [C17H19NO3; systematic name: (4R,4aR,7aR,12bS)-9-hy-droxy-3-methyl-1,2,4,4a,5,6,7a,13-octa-hydro-4,12-methano-benzofuro[3,2-e]iso-quinolin-7-one]. These two crystalline forms, designated as I and II, belong to the P212121 ortho-rhom-bic space group. In both polymorphs, the hydro-morphone mol-ecules adopt very similar conformations with some small differences observed only in the N-methyl amine part of the mol-ecule. The crystal structures of both polymorphs feature chains of mol-ecules connected by hydrogen bonds; however, in form I this inter-action occurs between the hydroxyl group and the tertiary amine N atom whereas in form II the hydroxyl group acts as a donor of a hydrogen bond to the O atom from the cyclic ether part.

| S-EPMC4908523 | biostudies-literature

A second polymorph of chlorido(hydroxy-diphenyl-phosphane)gold(I).

Project description:The title complex, [AuCl{(C(6)H(5))(2)P(OH)-?P}] or [AuCl(C(12)H(11)OP)], contains two independent mol-ecules in the asymmetric unit and is a polymorph of a previously reported structure [Hollatz et al. (1999 ?) J. Chem. Soc. Dalton Trans. pp. 111-114]. The crystal structure exhibits inter-molecular Au?Au inter-actions with alternate distances of 3.0112?(3)?Å and 3.0375?(2)?Å. The Cl-Au-P bond angle varies between different mol-ecular units, depending on the degree of influence of the intra-molecular the O-H?Cl hydrogen bond; the angle thus varies between negligible distortion from linearity at 179.23?(3)° and more significant distortion at 170.39?(4)°, which differs from the previously reported polymorph in which both these angles are approximately 170°. The Au-Cl [2.3366?(9) and 2.3131?(10)Å] and Au-P [2.2304?(10) and 2.2254?(10)?Å] bond lengths vary slightly between the two independent mol-ecules but overall, the bond lengths are in good agreement with those in the previously reported polymorph.

| S-EPMC3201275 | biostudies-literature

Chlorido[1-(diphenyl-phosphan-yl)cobaltocenium]gold(I) hexa-fluoridophosphate.

Project description:In the cobaltocenium group of the title compound, [AuCo(C(5)H(5))(C(17)H(14)P)Cl]PF(6), the substituted cyclo-penta-dienyl (Cps) and the unsubstituted cyclo-penta-dienyl (Cp) ring planes are almost parallel, making a dihedral angle of 3.1?(3)°. The C atoms in Cp and Cps are in an eclipsed conformation. The Au(I) atom is coordinated by a P atom from the diphenyl-phosphanyl group and a Cl atom in an almost linear arrangement [P-Au-Cl = 178.15-(7)°]. Two hexa-fluorido-phosphate anions are each located on a twofold rotation axis. In the crystal, the complex cations and hexa-fluorido-phosphate anions are linked via inter-molecular C-H?F hydrogen bonds.

| S-EPMC3120450 | biostudies-literature

Two polymorphs of [Rh(μ-I)(COD)]<sub>2</sub>.

Project description:The solid-state structure of di-μ-iodido-bis-{[(1,2,5,6-η)-cyclo-octa-1,4-diene]rhodium(I)}, [Rh2I2(C8H12)2] or [Rh(μ-I)(COD)]2, was determined from two crystals with different morphologies, which were found to correspond to two polymorphs containing Rh dimers with significantly different mol-ecular structures. Both polymorphs are monoclinic and the [Rh(μ-I)(COD)]2 mol-ecules in each case possess C2 v symmetry. However, the core geometry of the butterfly-shaped Rh2I2 core differs substanti-ally. In the C2/c polymorph, the core geometry of [Rh(μ-I)(COD)]2 B is bent, with a hinge angle of 96.13 (8)° and a Rh⋯Rh distance of 2.9612 (11) Å. The P21/c polymorph features a more planar [Rh(μ-I)(COD)]2 P core geometry, with a hinge angle of 145.69 (9)° and a Rh⋯Rh distance of 3.7646 (5) Å.

| S-EPMC8423016 | biostudies-literature

Chlorido[3,3'-dibutyl-5,5'-(pyridine-2,6-di-yl)dipyrazol-1-ido]gold(III).

Project description:The Au atom in the C2-symmetric pincer-type title complex, [AuCl(C(19)H(23)N(5))], is in the +3 oxidation state. The ligand is composed of one pyridine unit and two n-butyl-substituted pyrazoles (pyrz). Both pyrazoles are deprotonated, thus forming a neutral compound. To the best of our knowledge, this is the first Au(III)-bis-pyrazolate complex. According to the special geometry in the N,N',N''-tridentate ligand, containing two five-membered heterocycles, the complex deviates from an ideal square-planar coordination geometry; the N(pyrz)-Au-N(pyrz) angle is 160.8 (3)°, indicating a distortion of nearly 20°.

| S-EPMC2980159 | 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