Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4,5-Dibromo-2,7-di-tert-butyl-9,9-dimethyl-9H-thioxanthene.

ABSTRACT: In the title compound, C(23)H(28)Br(2)S, the thioxanthene unit is twisted, showing a dihedral angle of 29.3?(5)° between the benzene rings. When projected along [001], the packing shows two types of channels. The crystal studied was a racemic twin.

SUBMITTER: Rubio OH

PROVIDER: S-EPMC3379388 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4,5-Dibromo-2,7-di-tert-butyl-9,9-dimethyl-9H-thioxanthene.

Rubio Omayra H OH Fuentes de Arriba Angel L AL Sanz Francisca F Muniz Francisco M FM Morán Joaquín R JR

Acta crystallographica. Section E, Structure reports online 20120519 Pt 6

In the title compound, C(23)H(28)Br(2)S, the thioxanthene unit is twisted, showing a dihedral angle of 29.3 (5)° between the benzene rings. When projected along [001], the packing shows two types of channels. The crystal studied was a racemic twin. ...[more]

PMID: 22719586

Similar Datasets

2,7-Dibromo-9,9-dimethyl-9H-fluorene.

Project description:The title mol-ecule, C(15)H(15)Br(2), has crystallographic m2m site symmetry. As a result, all atoms, except for those of the methyl groups, are exactly coplanar. In the crystal structure, there are weak ?-? inter-actions with a centroid-centroid distance of 3.8409?(15)?Å between symmetry-related mol-ecules, which stack along the c axis.

| S-EPMC2979143 | biostudies-literature

4,4'-[(2,7-Dibromo-fluorene-9,9-di-yl)dimethyl-ene]dipyridinium bis-(perchlorate).

Project description:In the crystal of the title compound, C(25)H(20)Br(2)N(2) (2+)·2ClO(4) (-), inter-molecular N-H?O and C-H?O hydrogen bonds, along with C-H?? inter-actions, stabilize the crystal structure.

| S-EPMC3006750 | biostudies-literature

Di-tert-butyl 2,2'-[9H-fluorene-9,9-diylbis(p-phenyl-ene-oxy)]diacetate.

Project description:In the title mol-ecule, C(37)H(38)O(6), the non-fused C atom belonging to the five-membered ring of the fluorene system is connected to two p-phenyl-ene rings, the rings opening up the C(ar-yl)-C-C(ar-yl) angle to 113.1?(1)°. The four-atom -O-CH(2)-C(=O)-O- chain between the p-phenyl-ene ring and the tert-butyl group assumes a more regular W-shaped conformation for one substituent [O-C-C-C torsion angle = 171.9?(2)°] but a less regular W-shaped conformation for the other [torsion angle = 147.4?(2)°].

| S-EPMC3006837 | biostudies-other

1-Bromo-2,7-di-tert-butyl-pyrene.

Project description:In the title mol-ecule, C(24)H(25)Br, one of two tert-butyl groups is rotationally disordered between two orientations in a 0.59?(3):0.41?(3) ratio. The crystal packing exhibits no ?-? inter-actions; however, relatively short inter-molecular Br?Br contacts of 3.654?(1)?Å are observed.

| S-EPMC2980252 | biostudies-literature

3,6-Dibromo-9-(4-tert-butyl-benz-yl)-9H-carbazole.

Project description:In the title compound, C(23)H(21)Br(2)N, which was synthesized by the N-alkyl-ation of 1-tert-butyl-4-(chloro-meth-yl)benzene with 3,6-dibromo-9H-carbazole, the asymmetric unit contains two unique mol-ecules. Each carbazole ring system is essentially planar, with mean deviations of 0.0077 and 0.0089?Å for the two mol-ecules. The carbazole planes make dihedral angles of 78.9?(2) and 81.8?(2)° with the planes of the respective benzene rings.

| S-EPMC2962237 | biostudies-literature

Crystal structure of poly[aqua-[μ-1,1'-(9,9-dimethyl-9H-fluoren-2,7-di-yl)di-1H-imidazole](μ-naphthalene-1,4-di-carboxyl-ato)nickel(II)].

Project description:In the title compound, [Ni(C12H6O4)(C21H18N4)(H2O)] n , the Ni(II) cation is coordinated by three carboxyl-ate O atoms of two naphthalene-1,4-di-carboxyl-ate anions, one water mol-ecule and two N atoms of two 1,1'-(9,9-dimethyl-9H-fluoren-2,7-di-yl)di-1H-imidazole (DFDI) ligands, giving rise to a slightly distorted octa-hedral geometry. The Ni(II) ions are linked by the DFDI ligands into chains, which are further connected by the carboxyl-ate anions into double chains that elongate in the the b-axis direction. These double chains are linked by centrosymmetric pairs of O-H⋯O hydrogen bonds into layers parallel to (10-1). The asymmetric unit consists of one crystallographically independent Ni(II) cation, one carboxyl-ate and one DFDI ligand, as well as of one water mol-ecule, all of them located in general positions.

| S-EPMC4186126 | biostudies-literature

N-(7-Bromo-9-butyl-9H-carbazol-2-yl)-9,9-diethyl-N,N,N-triphenyl-9H-fluorene-2,7-diamine.

Project description:In the title mol-ecule, C(51)H(46)BrN(3), the central fluorene residue is planar (r.m.s. deviation = 0.0203 Å), as is the carbazole system (r.m.s. deviation = 0.0154 Å), and these groups are almost orthogonal [dihedral angle = 79.72 (3)°]. The three-dimensional architecture is consolidated by C-H⋯π inter-actions. The butyl substituent is disordered with two sites resolved for the terminal propyl atoms; the major component had a site-occupancy factor of 0.686 (3).

| S-EPMC3297913 | biostudies-literature

2,7-Dibromo-9-octyl-9H-carbazole.

Project description:In the crystal structure of the title compound, C(20)H(23)Br(2)N, the octyl chains are extended in an anti conformation and form a segregating bilayer, isolating rows of carbazole units. The carbazole moieties are engaged in offset π-π inter-actions; the smallest centroid-to-centroid distance is 4.2822 (11) Å. This offset packing motif allows the methyl-ene group attached directly to the N atom to be involved in two short C-H⋯π inter-actions (H⋯centroid distances = 2.96 and 2.99 Å) with an adjacent carbazole. One of the Br atoms also participates in a short contact [3.5475 (3) Å] with a symmetry-related (-x, 1 - y, -z) Br atom. This value is significantly smaller than the sum of the van der Waals radii for bromine (3.70 Å).

| S-EPMC2959667 | biostudies-literature

2,2'-(9,9-Dioctyl-9H-fluorene-2,7-di-yl)bis-(4,4,5,5-tetra-methyl-1,3,2-dioxaborolane).

Project description:In the title compound, C(41)H(64)B(2)O(4), one of the five-membered rings has an envelope conformation, while the other, which may be affected by disorder, is nearly coplanar with the fluorene ring. The dihedral angle between the fluorene and dioxaborolane rings is 2.29 (1)°. Two of the methyl groups are disordered over two orientations in 0.67 (3):0.33 (3) and 0.568 (10):0.432 (10) ratios.

| S-EPMC3239080 | biostudies-literature

3,3'-Dibromo-5,5'-di-tert-butyl-2,2'-dimethoxy-biphen-yl.

Project description:The title compound, C(22)H(28)Br(2)O(2), crystallizes in a staggered arrangement to minimize the inter-actions of its ortho substituents, with a dihedral angle of 84.2 (3)° between the two aromatic rings. Short C-H⋯O hydrogen-bonding inter-actions between meth-oxy groups result in a one-dimensional polymeric chain of mol-ecules lying parallel to the b axis. One tert-butyl group is disordered equally over two positions.

| S-EPMC2960332 | 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