Browse
Submit Data
Databases
API
Help

Dataset Information

10 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,10-Dibromo-6,6-dimethyl-dibenzo[d,f][1,3]dioxepine.

ABSTRACT: In the crystal structure of the title compound, C(15)H(12)Br(2)O(2), which was synthesized from 2,10-dibromo-2,2'-dihydroxy-biphenyl and 2,2-dimethoxy-propane, the aromatic rings are twisted by 35 (1)°. The heterocyclic ring exhibits a twisted conformation.

SUBMITTER: Zhang HQ

PROVIDER: S-EPMC2960964 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

2,10-Dibromo-6-isobutyl-6-methyl-dibenzo[d,f][1,3]dioxepine.

Project description:In the crystal structure of the title compound, C(18)H(18)Br(2)O(2), the two benzene rings of the bridged biphenyl unit are twisted by 38.0?(1)°.

| S-EPMC2961170 | biostudies-literature

2,2'-Bi[6,6'-dimethyl-dibenzo[d,f][1,3]dioxepine].

Project description:The title compound, C(30)H(26)O(4), is a dimer of 6,6'-dimethyl-dibenzo[d,f][1,3]dioxepine linked by formation of a C-C bond in the para position with respect to one O atom. The dimer is arranged around an inversion centre. As is usually observed in related compounds, the dibenzo group is twisted, the two benzene rings making a dihedral angle of 41.56?(9)°. The seven-membered ring exhibits a twisted conformation.

| S-EPMC2961082 | biostudies-other

Crystal structure of 4,8-di-tert-butyl-6,6-di-chloro-13-ethyl-2,10-dimethyl-13,14-di-hydro-12H-dibenzo[d,i][1,3,7,2]dioxaza-silecine toluene 0.25-solvate.

Project description:The coordination polyhedron at the silicon atom in the title compound, C26H37Cl2NO2Si·0.25C7H8, is typical for penta-coordinated silicon derivatives and represents a slightly distorted trigonal bipyramid with an N atom and a Cl atom in the apical positions and the two O atoms and the other Cl atom occupying the equatorial sites. There are two independent mol-ecules in the asymmetric unit. The N-Si-Cl fragment in each is close to linear [178.24?(5) and 178.71?(5)°], in good agreement with 4e-3c theory, as is the elongation of the apical bond lengths [Si-Cl = 2.1663?(7) and 2.1797?(7)?Å] in comparison with the equatorial bonds [Si-Cl = 2.0784?(7) and 2.0748?(7)?Å]. Orthogonal least-squares fitting of the two independent mol-ecules resulted in r.m.s. deviation of 0.017?Å. The conformations of the two mol-ecules are almost the same, with corresponding torsion angles differing by less than 5.5°. The toluene solvent mol-ecule is disordered about an inversion centre.

| S-EPMC4719981 | biostudies-literature

6,6'-Dimethyl-2,2'-[1,3-diazinane-1,3-diyl-bis(methyl-ene)]diphenol.

Project description:In the mol-ecule of the title compound, C(20)H(26)N(2)O(2), the 1,3-diazinane ring adopts a slightly distorted chair conformation and the hy-droxy-benzyl substituents occupy equatorial positions on the N atoms of the heterocyclic ring. There are two intra-molecular O-H?N hydrogen bonds between the N atoms of the 1,3-diazinane ring and the hy-droxy groups of the aromatic rings, with an S(6) set-graph motif. However, the two observed intra-molecular hydrogen-bond distances were different. Considering that both N atoms experience the same chemical environment, it is surprising to see the difference in O?N distances [2.6771?(14) and 2.8123?(12)?Å]. The crystal structure is further stabilized by a C-H?? interaction.

| S-EPMC3295478 | biostudies-literature

6,6'-Dimethyl-2,2'-[imidazolidine-1,3-diyl-bis(methyl-ene)]diphenol.

Project description:In the title compound, C19H24N2O2, a di-Mannich base derived from 2-methyl-phenol and 1,3,6,8-tetra-aza-tri-cyclo-[4.4.1.1(3,8)]dodecane, the imidazolidine ring adopts a twist conformation, with a twist about the ring N-C bond [C-N-C-C torsion angle = -44.34 (14)°]. The two 2-hy-droxy-3-methyl-benzyl groups are located in trans positions with respect to the imidazolidine fragment. The structure displays two intra-molecular O-H⋯N hydrogen bonds, which each form an S(6) ring motif. In the crystal, the mol-ecules are linked by weak C-H⋯O inter-actions with a bifurcated acceptor, forming a three-dimensional network.

| S-EPMC3998388 | biostudies-literature

3,11-Dibromo-14-(4-chloro-phen-yl)-14H-dibenzo[a,j]xanthene dimethyl-formamide monosolvate.

Project description:In the title compound, C(27)H(15)Br(2)ClO·C(3)H(7)NO, the xanthene moiety has a flattened boat conformation with a folding angle between the naphthalene units of 9.46?(3)°. The mean planes of the xanthene system and its 4-chloro-phenyl substituent are nearly perpendicular [dihedral angle = 89.43?(5)°]. The dimethyl-formamide solvent mol-ecule is disordered over two sets of sites with an occupancy ratio of 0.520?(11):0.480?(11).

| S-EPMC3344574 | biostudies-literature

6,6'-Dimeth-oxy-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methyl-idyne)]diphenol.

Project description:The title Schiff base compound, C(21)H(26)N(2)O(4), exhibits two crystallographically independent mol-ecules in the asymmetric unit with similar conformations. The imino groups are coplanar with the benzene rings; the maximum deviations of the N atoms from the planes comprising the benzene rings and the imino groups are -0.037 (4), 0.013 (4), -0.021 (5), and 0.008 (5) Å. The dihedral angles between the benzene rings in the two mol-ecules are 53.64 (17) and 51.93 (17)°. Strong intra-molecular O-H⋯N hydrogen bonds generate S(6) ring motifs. The N atoms are also in close proximity to the H atoms of the dimethyl-propane groups, with H⋯N distances between 2.54 and 2.75 Å. The crystal structure is further stabilized by weak inter-molecular C-H⋯O hydrogen bonds, weak inter-molecular C-H⋯π inter-actions and π-π contacts involving the imine C atom and two C atoms from the adjacent benzene rings.

| S-EPMC2967940 | biostudies-literature

6,6'-Dibromo-2,2'-dihex-yloxy-1,1'-bi-naphthalene.

Project description:The title compound, C(32)H(36)Br(2)O(2), was prepared by the reaction of 6-bromo-1-(2-bromo-6-hydroxy-naphthalen-5-yl)-naphthalen-2-ol and 1-iodo-hexane. The dihedral angle between the naphthalene ring planes is 63.8?(9)° The crystal structure may be stabilized by two very weak ?-? inter-actions involving the six-membered rings, with centroid-centroid distances of 4.012?(4) and 4.010?(4)?Å. The crystal studied was an inversion twin.

| S-EPMC2959541 | biostudies-literature

6,6-Dimethyl-2H,5H,6H,7H-1,3-dithiolo[4,5-f][1,5,3]dithia-silepin-2-one.

Project description:In the structure of the title compound, C(7)H(10)OS(4)Si, the carbonyl O atom lies in the plane of the five-membered dithiole ring with a deviation of only 0.022?(2)?Å. The seven-membered ring adopts a chair conformation. The crystal packing is stabilized by S?O [3.096?(4)?Å] and S?S [3.620?(4)?Å] contacts, together with C-H?S inter-actions.

| S-EPMC3344068 | biostudies-literature

{4,4',6,6'-Tetra-chloro-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methanylyl-idene)]}nickel(II).

Project description:In the title compound, [Ni(C(19)H(16)Cl(4)N(2)O(2))], the Ni(II) ion is in a distorted square-planar environment coordinated by two N atoms and two O atoms of the tetra-dentate ligand. The dihedral angle between the benzene rings is 24.8 (2)°. In the crystal, mol-ecules are linked into chains along the b axis by weak C-H⋯O and C-H⋯Cl inter-actions. An inter-molecular Cl⋯Cl [3.4564 (19) Å] inter-action is present which is shorter than the sum of the van der Waals radii of Cl atoms (3.50 Å).

| S-EPMC3274915 | 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