Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,8-Dimethyl-10-p-tolyl-10H-phenoxaphosphine.

ABSTRACT:

The title compound (systematic name

3,6-dimethyl-10-p-tolyl-9-oxa-10-phosphaanthracene), C(21)H(19)OP, is a precursor for the preparation of a bidentate xanthene-based ligand, in which the dihedral angle between the toluene ring and the phenoxaphosphine ring system is 83.26 (3)°. The geometry at the P atom is pyramidal, resulting in a longer C-P bond length as compared to the two ring C-P bonds.

SUBMITTER: Marimuthu T

PROVIDER: S-EPMC2968818 | biostudies-literature | 2009 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,8-Dimethyl-10-p-tolyl-10H-phenoxaphosphine.

Marimuthu Thashree T Bala Muhammad D MD Friedrich Holger B HB

Acta crystallographica. Section E, Structure reports online 20090325 Pt 4

<h4>The title compound (systematic name</h4>3,6-dimethyl-10-p-tolyl-9-oxa-10-phosphaanthracene), C(21)H(19)OP, is a precursor for the preparation of a bidentate xanthene-based ligand, in which the dihedral angle between the toluene ring and the phenoxaphosphine ring system is 83.26 (3)°. The geometry at the P atom is pyramidal, resulting in a longer C-P bond length as compared to the two ring C-P bonds. ...[more]

PMID: 21582548

Similar Datasets

1-Isopropyl-4,7-dimethyl-2,8-dinitro-naphthalene.

Project description:The title compound, C(15)H(16)N(2)O(4), was synthesized from a mixture of α-himachalene (2-methyl-ene-6,6,9-trimethyl-bicyclo-[5.4.O(1,7)]undec-8-ene) and β-himachalene (2,6,6,9-tetra-methyl-bicyclo-[5.4.0(1,7)]undeca-1,8-diene) which were isolated from an oil of the Atlas cedar (Cedrus atlantica). The asymmetric unit contains two independent mol-ecules. In each of the two mol-ecules, two O atoms of one nitro group are disordered over two sets of sites with site-occupancy factors of 0.636 (5):0.364 (5) and 0.832 (5):0.168 (5). The crystal structure features weak C-H⋯O hydrogen bonds.

| S-EPMC3379451 | biostudies-literature

4,6-Dimethyl-2-p-tolyl-pyrimidine.

Project description:The mol-ecule of the title compound, C(13)H(14)N(2), is located on a crystallographic mirror plane. The aromatic rings make a dihedral angle of 3.4 (2)°. The H atoms of the methyl groups on the benzene ring are disordered over two positions; their site-occupation factors were fixed at 0.5. In the crystal, inter-molecular C-H⋯π contacts form infinite chains perpendicular to the b axis.

| S-EPMC2971259 | biostudies-literature

10-Ethyl-10H-phenothia-zine-3-carbaldehyde.

Project description:In the title mol-ecule, C(15)H(13)NOS, the two benzene rings of the tricyclic fused-ring system are inclined at 21.1 (1)°. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into chains along [001]. The crystal packing also exhibits π-π inter-actions with a distance of 3.801 (5) Å between the centroids of the benzene rings of neighbouring mol-ecules.

| S-EPMC3238990 | biostudies-literature

10-Hexyl-10H-phenothia-zine-3-carbaldehyde.

Project description:The asymmetric unit of the title compound, C(19)H(21)NOS, contains two mol-ecules, which form dimers via pairs of weak C-H⋯O hydrogen bonds.

| S-EPMC2960062 | biostudies-literature

10-Benzyl-10H-phenothia-zine 9-oxide.

Project description:In the title compound, C(19)H(15)NOS, the butterfly angle between the mean planes defined by the S, N and phenyl C atoms of the two wings of the phenothiazine unit is 23.4 (1)°. In the crystal, a supra-molecular two-dimensional arrangement arises from weak inter-molecular C-H⋯O inter-actions.

| S-EPMC2977256 | biostudies-literature

10-Acetyl-10H-phenothia-zine 5-oxide.

Project description:In the title compound, C(14)H(11)NO(2)S, the sulfoxide O atom is disordered over two sites with occupancies of 0.886 (4) and 0.114 (4), reflecting a partial inversion of the lone pair at the tetra-hedral S-atom site. In the crystal, a supra-molecular arrangement arises from weak inter-molecular C-H⋯O hydrogen bonds. π-π contacts between the aromatic rings of symmetry-related mol-ecules [centroid-centroid distances = 3.7547 (15) and 3.9577 (15) Å] in parallel accumulation further stabilize the crystal structure.

| S-EPMC2977198 | biostudies-literature

1-(10H-phenothia-zin-10-yl)ethanone.

Project description:In the title compound, C14H11NOS, the phenothia-zine unit has a butterfly conformation and the central six-membered ring has a boat form. The fold angle between the benzene rings is 46.39 (7)°, which is larger than found in similar compounds, probably as a result of steric repulsion between the phenothia-zine fragment and the acetyl group.

| S-EPMC3588965 | biostudies-literature

(E)-3,5-Dimethyl-1-p-tolyl-4-(p-tolyl-diazen-yl)-1H-pyrazole.

Project description:There are two independent mol-ecules, A and B, in the asymmetric unit of the title compound, C(19)H(20)N(4), in each of which the N=N double bond has an E conformation. The dihedral angles between the pyrazole ring and the p-tolyl rings in the 1- and 4-positions are 22.54 (8) and 35.73 (7)°, respectively, in mol-ecule A. The corresponding dihedral angles in mol-ecule B are 28.13 (8) and 22.18 (8)°. In the crystal, the A and B mol-ecules are linked by weak C-H⋯π inter-actions, leading to inversion dimers in each case.

| S-EPMC3275036 | biostudies-literature

10-Phenyl-10H-phenoxazine-4,6-diol tetrahydrofuran monosolvate

Project description:In the crystalline state of the title solvate, C18H13NO3·C4H8O, hydrogen-bonding interactions between hydroxyl groups on a phenoxazine backbone and the tetrahydrofuran solvent are observed that suggest the ability for this compound to act as a chelating ligand. In the crystalline state of the title solvate, C18H13NO3·C4H8O, hydrogen-bonding interactions between hydroxyl groups on a phenoxazine backbone and the tetrahydrofuran solvent are observed that suggest the ability for this compound to act as a chelating ligand. The O⋯O donor–acceptor distances for this hydrogen bonding are 2.7729 (15) and 2.7447 (15) Å. The three-ring backbone of the phenoxazine bends out of planarity by 18.92 (3)°, as computed using mean planes that encompass each half of the three-ring structure, with the central N and O atoms forming the line of flexion. In the crystal, a π–π stacking arrangement exists between inversion-related molecules, with a centroid-to-centroid distance of 3.6355 (11) Å. In the disordered tetrahydrofuran solvate, all atoms except oxygen were modeled over two positions, with occupancies of 0.511 (8) and 0.489 (8).

| S-EPMC9462277 | biostudies-literature

10-(Prop-2-yn-yl)-10H-phenothia-zine.

Project description:In the mol-ecule of the title compound, C(15)H(11)NS, the butterfly angle between the two planes defined by the two wings of the phenothia-zine unit is 33.5 (8)°. The dihedral angles between the two benzene rings and the propynyl group are 85 (4) and 63 (4)°.

| S-EPMC3009285 | 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