Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Dicyclo-hex-yl(4-isopropyl-phen-yl)phosphane selenide.

ABSTRACT: In the title compund, C(21)H(33)PSe, the Se=P bond is part of a distorted tetra-hedral environment on the P atom. Both cyclo-hexyl groups adopt chair conformations. A cone angle of 170° was calculated using an adaptation of the Tolman model. Inter-molecular C-H?Se and C-H?Cg contacts are observed (Cg is the centroid of the benzene ring).

SUBMITTER: Makhoba S

PROVIDER: S-EPMC3295440 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Dicyclo-hex-yl(4-isopropyl-phen-yl)phosphane selenide.

Makhoba Sizwe S Muller Alfred A Phasha Zanele Z

Acta crystallographica. Section E, Structure reports online 20120210 Pt 3

In the title compund, C(21)H(33)PSe, the Se=P bond is part of a distorted tetra-hedral environment on the P atom. Both cyclo-hexyl groups adopt chair conformations. A cone angle of 170° was calculated using an adaptation of the Tolman model. Inter-molecular C-H⋯Se and C-H⋯Cg contacts are observed (Cg is the centroid of the benzene ring). ...[more]

PMID: 22412551

Similar Datasets

trans-Dichloridobis[dicyclo-hex-yl(4-isopropyl-phen-yl)phosphane-?P]platinum(II) acetone monosolvate.

Project description:The title compound, [PtCl(2)(C(21)H(33)P)(2)]·C(3)H(6)O, crystallizes with an accompanying acetone solvent mol-ecule. The metal atom shows a distorted square-planar coordination environment, with a P-Pt-P angle of 172.41?(3)° as the most prominent feature. Both isopropyl fragments were treated as disordered over two conformations with occupancy ratios of 0.55?(2):0.45?(2) and 0.58?(2):0.42?(2). The solvent mol-ecule was also disordered over two orientations in a 1:1 ratio. The crystal studied was a non-merohedral twin with a twin component of 32.4%.

| S-EPMC3254293 | biostudies-literature

trans-Carbonyl-chloridobis[dicyclo-hex-yl(4-isopropyl-phen-yl)phosphane]rhodium(I) acetone monosolvate.

Project description:The title rhodium Vaska-type complex, trans-[RhCl{P(C(6)H(11))(2)(C(6)H(4)-4-C(3)H(7))(2)}(2)(CO)], crystallizes with an accompanying acetone solvent mol-ecule. The metal atom shows a distorted square-planar coordination environment with selected important geometrical parameters of Rh-P = 2.3237 (6) and 2.3253 (6) Å, Rh-Cl = 2.3724 (6) Å, Rh-C = 1.802 (2) Å, P-Rh-P = 173.42 (2)° and Cl-Rh-C = 179.13 (7)°. Effective cone angles for the two P atoms are 165 and 161°, respectively. Both isopropyl groups and the acetone mol-ecule are disordered with occupancy values of 0.523 (5):0.477 (5), 0.554 (8):0.446 (8) and 0.735 (4):0.265 (4), respectively. The crystal packing is stabilized by weak C-H⋯O and C-H⋯Cl contacts.

| S-EPMC3200912 | biostudies-literature

Dicyclo-hex-yl[4-(dimethyl-amino)-phen-yl]phosphine selenide.

Project description:In the title mol-ecule, C(20)H(32)NPSe, the P atom has a distorted tetra-hedral environment resulting in an effective cone angle of 172°. Weak inter-molecular C-H?Se inter-actions are observed.

| S-EPMC3254574 | biostudies-literature

trans-Dichloridobis[dicyclo-hex-yl(2,4,6-trimethyl-phen-yl)phosphane-κP]palladium(II).

Project description:The title compound, [PdCl(2)(C(21)H(33)P)(2)], forms a monomeric complex with a trans-square-planar coordination geometry about the Pd(II) atom which lies on an inversion centre. The Pd-P bond lengths are 2.3760 (13) Å, while the Pd-Cl bond lengths are 2.3172 (14) Å. The observed structure was found to be closely related to that of trans-dichloridobis[dicyclo-hex-yl(phen-yl)phosphane-κP]palladium(II), [PdCl(2){P(C(6)H(11))(2)(C(6)H(5))}(2)] [Burgoyne et al. (2012 ▶). Acta Cryst. E68, m404].

| S-EPMC3515096 | biostudies-literature

trans-Dichloridobis[dicyclo-hex-yl(phen-yl)phosphane-?P]palladium(II).

Project description:The title compound, [PdCl(2){P(C(6)H(11))(2)(C(6)H(5))}(2)], forms a monomeric complex with a trans-square-planar geometry. The Pd-P bond lengths are 2.3343?(5)?Å, as the Pd atom lies on an inversion centre, while the Pd-Cl bond lengths are 2.3017?(4)?Å. The observed structure was found to be closely related to [PdCl(2){P(C(6)H(11))(3)}(2)] [Grushin et al. (1994 ?). Inorg. Chem.33, 4804-4806], [PdBr(2){P(C(6)H(11))(3)}(2)] [Clarke et al. (2003 ?). Dalton Trans. pp. 4393-4394] and [PdCl(2)P(C(6)H(11))(2)(C(7)H(7))}(2)] [Vuoti et al. (2008 ?). Eur. J. Inorg. Chem. pp. 397-407] (C(6)H(11) is cyclo-hexyl and C(7)H(7) is o-tol-yl). One of the cyclo-hexyl rings is disordered with the phenyl ring in a 0.587?(9):413?(9) ratio. Five long-range C-H?Cl inter-actions were observed within the structure.

| S-EPMC3343813 | biostudies-other

(Acetyl-acetonato-?O,O')carbon-yl{dicyclo-hex-yl[4-(dimethyl-amino)-phen-yl]phosphane-?P}rhodium(I).

Project description:The title compound, [Rh(C(5)H(7)O(2))(C(20)H(32)NP)(CO)], features an acetyl-acetonate-chelated Rh(I) cation coordinated by one P [Rh-P = 2.2525?(7)?Å], one carbonyl C [Rh-C = 1.792?(3)?Å] and two O [Rh-O = 2.0582?(17) and 2.0912?(18)?Å] atoms in a slightly distorted square-planar geometry. Mol-ecules are packed in positions of least steric hindrance, with the phosphane ligands positioned above and below the Rh-acetyl-acetonate backbone.

| S-EPMC3238760 | biostudies-literature

(Acetyl-acetonato-?(2)O,O')carbon-yl[dicyclo-hex-yl(2,6-diisopropyl-phen-yl)phosphane-?P]rhodium(I).

Project description:In the title compound, [Rh(C(5)H(7)O(2)){C(12)H(17)P(C(6)H(11))(2)}(CO)], the Rh(I) atom is coordinated by one carbonyl C, one P and two O atoms, forming a slighlty distorted square-planar configuration.

| S-EPMC3379078 | biostudies-other

trans-Dichloridobis{dicyclo-hex-yl[4-(dimethyl-amino)-phen-yl]phosphane-?P}platinum(II) dichloro-methane disolvate.

Project description:In the title complex, trans-[PtCl2{P(C6H11)2(4-Me2NC6H4)}2]·2CH2Cl2, the Pt(II) atom is located on an inversion centre, resulting in a trans-square-planar geometry. Important geometric parameters are the Pt-P and Pt-Cl bond lengths of 2.3258?(6) and 2.3106?(6)?Å, respectively, and the P-Pt-Cl angles of 89.64?(2) and 90.36?(2)°. The effective cone angle for the dicyclo-hex-yl[4-(dimethyl-amino)-phen-yl]phosphane unit was calculated to be 164°. The compound crystallizes with two dichloro-methane solvent mol-ecules; one of which is severely disordered and was treated using the SQUEEZE routine in PLATON [Spek (2009 ?). Acta Cryst. D65, 148-155].

| S-EPMC3588798 | biostudies-other

Diphenyl(pyridin-2-yl)-phosphane selenide.

Project description:In the title compound, C(17)H(14)NPSe, the P atom has a distorted tetra-hedral environment resulting in an effective cone angle of 163°. In the crystal, C-H?Se/N/? inter-actions are observed.

| S-EPMC3515180 | biostudies-literature

2-Isopropyl-5-methyl-cyclo-hexyl cyclo-hex-yl(phen-yl)phosphinate.

Project description:In the title mol-ecule, C(22)H(35)O(2)P, the two cyclo-hexyl rings exhibit chair conformations. In the crystal, mol-ecules related by translation along the b axis are linked by the weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC3099872 | biostudies-other

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