Browse
Submit Data
Databases
API
Help

Dataset Information

9 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

5,5-Dimethyl-2-methyl-seleno-1,3,2-dioxaphospho-rinan-2-one.

ABSTRACT: The title compound, C(6)H(13)O(3)PSe, was obtained in the reaction of 5,5-dimethyl-2-oxo-2-seleno-1,3,2-dioxaphospho-r-inane potassium salt with methyl iodide. The seleno-methyl group is in the axial position in relation to the six-membered dioxaphospho-rinane ring.

SUBMITTER: Cholewinski G

PROVIDER: S-EPMC2984009 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

7-[(5,5-Dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-oxy]-4-methyl-2H-chromen-2-one.

Project description:The title compound, C(15)H(17)O(6)P, was obtained from a reaction of 4-methyl-7-hy-droxy-coumarin and 2-chloro-5,5-dimethyl-1,3,2-dioxaphosphinane 2-oxide. There are two mol-ecules in the asymmetric unit in which the benzopyran ring system is almost planar [r.m.s. deviation for each molecule = 0.003?Å]. In the crystal, C-H?O hydrogen bonds and ?-? stacking inter-actions [with centroid-centroid distances of 3.743?(3) and 3.727?(3)?Å] link the two mol-ecules. The dioxaphospho-rinane ring adopts a chair conformation in both asymmetric molecules.

| S-EPMC3379479 | biostudies-literature

Methyl 2-(5,5-dimethyl-1,3,2-dioxa-borinan-2-yl)-4-nitro-benzoate.

Project description:The six-membered boronate ester ring of the title compound, C(13)H(16)BNO(6), adopts an envelope conformation with the C atom bearing the dimethyl substituents at the flap. The O-B-C-C torsion angles between the boronate group and the benzene ring are 72.5?(2) and 81.0?(2)°. The 4-nitro-benzoate unit adopts a slightly twisted conformation, with dihedral angles between the benzene ring and the nitrate and methyl ester groups of 17.5?(2) and 14.4?(3)°, respectively. In the crystal, inversion-related pairs of mol-ecules show weak ?-? stacking inter-actions [centroid-centroid distance = 4.0585?(9)?Å and inter-planar spacing = 3.6254?(7)?Å].

| S-EPMC3414346 | biostudies-literature

2-[(4-Chloro-phen-yl)(hy-droxy)meth-yl]-5,5-dimethyl-1,3,2-dioxaphosphinan-2-one.

Project description:In the title compound, C(12)H(16)ClO(4)P, the phospho-nate ring adopts a chair conformation. In the crystal, intermolecular O-H⋯O hydrogen bonds link the molecules into chains propagating along the b axis.

| S-EPMC3099943 | biostudies-literature

4-Isopropyl-5,5-dimethyl-2-sulfanyl-1,3,2-dioxaphosphinane 2-sulfide.

Project description:The title compound, C(8)H(17)O(2)PS(2), displays a distorted tetra-hedral geometry around the P atom. The P atom is part of a six-membered ring with an isopropyl group in the equatorial position. The mol-ecules are linked by S-H⋯S hydrogen bonds in the crystal packing.

| S-EPMC3435691 | biostudies-literature

(E)-2-(1,1-Di-cyclo-hexyl-3-phenyl-all-yl)-5,5-dimethyl-1,3,2-dioxaborinane.

Project description:The crystal structure of the title compound, C26H39BO2, which contains no strong hydrogen bond donors, displays only long C-H?O contacts between inversion-related pairs of mol-ecules. The structure contains layers rich in oxygen and boron parallel to the ac plane. The dioxaborinane ring adopts an envelope conformation with the C atom attached to the two methyl groups as the flap .

| S-EPMC3884414 | biostudies-literature

Dimethyl 5,5'-methyl-enebis(2-hy-droxy-benzoate).

Project description:In the title compound, C(17)H(16)O(6), the two methyl salicylate moieties are related by crystallographic twofold rotational symmetry with the two benzene rings close to being perpendicular [inter-ring dihedral angle = 86.6 (8)°]. Intra-molecular phenolic O-H⋯O hydrogen bonds with carboxyl O-atom acceptors are present, with these groups also involved in centrosymmetric cyclic inter-molecular O-H⋯O hydrogen-bonding associations [graph set R(2) (2)(4)], giving infinite chains extending across (101).

| S-EPMC3344530 | biostudies-literature

4,4,5,5-Tetra-methyl-1,3,2?-dioxa-phospho-lan-2-one.

Project description:The five-membered ring in the title compound, C(6)H(13)O(3)P, exists in an envelope conformation with one of the ring C atoms at the flap position. The coordination geometry around the P atom is a distorted tetra-hedron. The crystal structure is stabilized by several weak C-H?O and P-H?O hydrogen bonds, forming a three-dimensional network.

| S-EPMC3213595 | biostudies-literature

2,2'-(3,3'-Dihexyl-2,2'-bithio-phene-5,5'-di-yl)bis-(4,4,5,5-tetra-methyl-1,3,2-dioxaborolane).

Project description:In the title mol-ecule, C(32)H(52)B(2)O(4)S(2), the two thio-phene rings are twisted by 67.34 (2)°. In the crystal, weak C-H⋯O hydrogen bonds link mol-ecules related by translation along the a axis into chains.

| S-EPMC3239133 | biostudies-literature

(S)-2-[(2,4-Dichloro-phen-yl)(hy-droxy)meth-yl]-5,5-dimethyl-1,3,2-dioxa-phosphinane 2-oxide.

Project description:In the title mol-ecule, C(12)H(15)Cl(2)O(4)P, the cyclic dioxaphosphinane ring adopts a chair conformation. In the crystal, inter-molecular O-H?O hydrogen bonds link the mol-ecules into chains propagating along the b axis.

| S-EPMC3100063 | biostudies-literature

5,5'-Seleno-bis-(2-hy-droxy-benzaldehyde).

Project description:In the title mol-ecule, C(14)H(10)O(4)Se, the dihedral angle between the two benzene rings is 74.6?(1)°. Both hy-droxy-benzaldehyde groups form intra-molecular O-H?O hydrogen bonds. In the crystal, pairs of mol-ecules are linked by pairs of weak C-H??(arene) inter-actions, forming centrosymmetric dimers. In addition, mol-ecules are linked by ?-? stacking inter-actions, with a centroid-centroid distance of 3.785?(2)?Å, forming chains along the c axis.

| S-EPMC3247385 | 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