Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,5-Bis[2,6-bis-(2,4,6-triisopropyl-phen-yl)phen-yl]-2,3,4,6,7-penta-tellura-1,5-di-stannabicyclo-[3.1.1]hepta-ne.

ABSTRACT: The title compound, [Sn(2)(C(72)H(98))Te(2)(Te(3))], has a cage-like structure with bulky aryl substituents on the Sn atoms. The mol-ecule sits over a crystallographic twofold axis, and hence the asymmetric unit consists of one half-mol-ecule. Due to the twofold axis, the tritelluride part has a 1:1 disorder. One of the six-membered rings has a boat conformation, whereas the other has a chair conformation. The ditelluradistannane ring has a bent structure, with a dihedral angle of 32.89?(2)° between the two Te-Sn-Te planes.

SUBMITTER: Saito M

PROVIDER: S-EPMC3007470 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1,5-Bis[2,6-bis-(2,4,6-triisopropyl-phen-yl)phen-yl]-2,3,4,6,7-penta-tellura-1,5-di-stannabicyclo-[3.1.1]hepta-ne.

Saito Masaichi M Hashimoto Hizuru H Tajima Tomoyuki T

Acta crystallographica. Section E, Structure reports online 20100703 Pt 8

The title compound, [Sn(2)(C(72)H(98))Te(2)(Te(3))], has a cage-like structure with bulky aryl substituents on the Sn atoms. The mol-ecule sits over a crystallographic twofold axis, and hence the asymmetric unit consists of one half-mol-ecule. Due to the twofold axis, the tritelluride part has a 1:1 disorder. One of the six-membered rings has a boat conformation, whereas the other has a chair conformation. The ditelluradistannane ring has a bent structure, with a dihedral angle of 32.89 (2)° bet ...[more]

PMID: 21588131

Similar Datasets

1,5-Bis(4-nitro-phen-oxy)penta-ne.

Project description:The title compound, C(17)H(18)N(2)O(6), crystallizes with two mol-ecules in the asymmetric unit. In both molecules, one of the C-C bonds of the penta-methyl-ene chain connecting the two aromatic rings is in a trans conformation and another displays a gauche conformation. The aromatic rings within each mol-ecule are nearly coplanar [dihedral angles = 3.36 (9) and 4.50 (9)°] and the nitro groups are twisted slightly out of the planes of their attached rings [dihedral angles = 8.16 (3)/6.6 (2) and 4.9 (4)/3.8 (3)°].

| S-EPMC2977647 | biostudies-literature

(1E,4E)-1,5-Bis(2,4,6-trimeth-oxy-phen-yl)penta-1,4-dien-3-one.

Project description:There are two crystallographically independent mol-ecules in the asymmetric unit of the title bis-chalcone derivative, C(23)H(26)O(7). The mol-ecules are unsymmetrical and almost planar: the dihedral angle between two benzene rings is 1.04?(7)° in one mol-ecule and 2.31?(7)° in the other. The central penta-1,4-dien-3-one fragment makes dihedral angles of 7.61?(7) and 6.82?(7)° with the two adjacent benzene rings in one mol-ecule, while the corresponding values are 7.85?(7) and 9.42?(6)° in the other. In both mol-ecules, the three meth-oxy groups of the two 2,4,6-trimeth-oxy-phenyl units are coplanar with the attached benzene rings [C-O-C-C- torsion angles of -1.5?(2), -7.2?(2) and 4.1?(2)° in one mol-ecule and -0.7?(2), -5.5?(2) and -0.6?(2)° in the other]. The mol-ecular conformations are stabilized by weak intra-molecular C-H?O inter-actions generating two S(6) ring motifs. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O inter-actions into zigzag chains parallel to the c axis. The crystal structure is further stabilized by C-H?? inter-actions and ?-? inter-actions with centroid-centroid distances of 3.6433?(8)?Å.

| S-EPMC3050352 | biostudies-literature

1,5-Bis(penta-fluoro-phen-yl)-3-phenyl-pent-2-ene-1,5-dione.

Project description:In the title compound, C(23)H(8)F(10)O(2), the three arene rings are twisted one with respect to the other: the two perfluorinated arene rings are tilted to each other by an angle of 60.39?(7)°. They are inclined to the non-fluorinated phenyl unit by 38.85?(7) and 78.74?(7)°. The olefinic double bond adopts an E configuration. The carbonyl groups are not in a coplanar alignment with reference to the neighbouring arene rings. The crystal packing features a number of weak C-H?F inter-actions, which leads to the formation of a three-dimensional network.

| S-EPMC2971416 | biostudies-literature

1,2-Bis(dimethyl-amino)-1,2-bis-(2,4,6-triisopropyl-phen-yl)diborane(4).

Project description:In the mol-ecular structure of the title compound, C(34)H(58)B(2)N(2), each B atom of the diborane(4) is connected to one dimethyl-amino group and one Tip ligand (Tip = 2,4,6-triisopropyl-phen-yl). These findings indicate that the increased steric demand of the Tip groups exerts influence solely on the B-B separation but not on the overall geometry of the title compound.

| S-EPMC3011803 | biostudies-other

1-(2,4,6-Triisopropyl-phen-yl)ethanone.

Project description:The title compound, C(17)H(26)O, is a di-ortho-alkyl substituted phenyl ethanone that exhibits a significant twisting of the ketone fragment relative to the aromatic ring [O-C-C-C torsion angle = 89.32?(17)°] due to steric pressure from the ortho-isopropyl groups. One ortho- and the para-isopropyl group exhibit orientational disorder with a refined site occupancy factor of 0.562?(3):0.438?(3).

| S-EPMC3201453 | biostudies-other

(1E,4E)-1,5-Bis[2-(trifluoro-meth-yl)phen-yl]penta-1,4-dien-3-one.

Project description:In the title compound, C(19)H(12)F(6)O, a monoketone derivative of curcumin, both double bonds have a trans conformation. The mol-ecule is mostly planar with all C and O atoms essentially coplanar, with the exception of one benzene ring, which is tilted by 17.18 (1)° with respect to the plane of the remainder of the mol-ecule. The r.m.s. deviation from planarity of the coplanar section is 0.0097 Å. The crystal packing features weak C-H⋯O and C-H⋯F inter-actions.

| S-EPMC3569239 | biostudies-literature

(1E,4E)-1,5-Bis(2,4,5-trimethoxy-phen-yl)penta-1,4-dien-3-one.

Project description:There are three mol-ecules in the asymmetric unit of the title compound, C(23)H(26)O(7), in which the dihedral angles between two benzene rings are 4.34?(9), 18.11?(8) and 8.54?(8)°. The central penta-1,4-dien-3-one fragment makes dihedral angles of 3.95?(9) and 3.32?(16)° with the two adjacent benzene rings in one mol-ecule, whereas the corresponding pairs of angles in the other two mol-ecules are 10.34?(9)/17.46?(8)° and 7.87?(8)/13.33?(8)°. In the crystal, mol-ecules are linked by inter-molecular C-H?O and C-H?? weak inter-actions into a three-dimensional network. Finally, ?-? inter-actions [centroid?centroid distances = 3.5984?(10) and 3.5545?(10)?Å] are observed.

| S-EPMC2979664 | biostudies-literature

(1E,4E)-1,5-Bis(thio-phen-3-yl)penta-1,4-dien-3-one.

Project description:The title compound, C(13)H(10)OS(2), exhibits twists between the central C(3)O and ethene residues [O-C-C-C torsion angles = -8.4 (3) and 11.8 (3)°], and between the ethene and adjacent thio-phenyl residues [C-C-C-C torsion angles = -4.2 (3) and 10.5 (3)°]. As a result, the mol-ecule is non-planar, the dihedral angle formed between the terminal thio-phenyl groups being 15.45 (10)°. The presence of C-H⋯O inter-actions involving the bifurcated carbonyl O atom leads to supra-molecular arrays in the ac plane. These are linked into a three-dimensional architecture by C-H⋯π inter-actions involving both thio-phenyl residues.

| S-EPMC3200598 | biostudies-literature

(1E,4E)-1,5-Bis(2,4-dimethyl-phen-yl)penta-1,4-dien-3-one.

Project description:In the title compound, C(21)H(22)O, a derivative of the biologically active compound curcumin, the dihedral angle between the aromatic ring planes is 20.57 (11)°.

| S-EPMC2969860 | biostudies-literature

(1E,4E)-1,5-Bis(4-methyl-phen-yl)penta-1,4-dien-3-one.

Project description:The title compound, C(19)H(18)O, crystallizes in a non-centrosymmetric space group although the mol-ecule has no chiral centre. The dihedral angle between the aromatic rings is 20.43 (13)°. The structure is stabilized by two intra-molecular hydrogen bonds, and by four π-π and three C-H⋯π inter-actions between the aromatic rings. The perpendicular distances between the centroids of the rings involved in the π-π inter-actions have values of 1.996, 2.061, 2.181 and 2.189 Å.

| S-EPMC2962047 | 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