Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,4,5-Tris(biphenyl-2-yl)-1-bromo-benzene.

ABSTRACT: In the title compound, C(42)H(29)Br, the dihedral angles between the central benzene ring and the three attached benzene rings are very similar, lying in the range 52.65?(6)-57.20?(7)°. Of the dihedral angles between the rings of the o-biphenyl substituents, two are similar [46.34?(7) and 47.35?(7)°], while the other differs significantly [64.17?(7)°]. In the crystal, mol-ecules are linked into centrosymmetric dimers by two weak C-H?? inter-actions.

SUBMITTER: Rodrigues AS

PROVIDER: S-EPMC3213533 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,4,5-Tris(biphenyl-2-yl)-1-bromo-benzene.

Rodrigues Ana S M C AS Gomes Ligia R LR Santos Luís M N B F LM Low John Nicolson JN

Acta crystallographica. Section E, Structure reports online 20110723 Pt 8

In the title compound, C(42)H(29)Br, the dihedral angles between the central benzene ring and the three attached benzene rings are very similar, lying in the range 52.65 (6)-57.20 (7)°. Of the dihedral angles between the rings of the o-biphenyl substituents, two are similar [46.34 (7) and 47.35 (7)°], while the other differs significantly [64.17 (7)°]. In the crystal, mol-ecules are linked into centrosymmetric dimers by two weak C-H⋯π inter-actions. ...[more]

PMID: 22091110

Similar Datasets

Tris(biphenyl-4-yl)arsane.

Project description:The asymmetric unit of title compound, C(36)H(27)As, contains two crystallographically independent mol-ecules, A and B, with similar conformations. The two phenyl rings of each biphenyl unit are twisted slightly away from each other with dihedral angles of 6.0 (2), 27.7 (3) and 33.4 (2)° in mol-ecule A and 5.7 (3), 27.5 (2) and 33.0 (2)° in mol-ecule B. The As-bonded phenyl rings make dihedral angles of 54.9 (2), 76.0 (2) and 88.2 (2),° with each other in mol-ecule A, and 60.3 (2), 78.1 (2) and 79.5 (2)° in mol-ecule B. In the crystal, the mol-ecules are stacked down the b axis. Weak inter-molecular C-H⋯π inter-actions stabilize the crystal structure. The crystal studied was a racemic twin, the refined ratio of twin components being 0.461 (7):0.539 (7).

| S-EPMC3051659 | biostudies-literature

1,3,5-Tris(bromo-meth-yl)-2,4,6-trimeth-oxy-benzene.

Project description:There are three independent mol-ecules in the asymmetric unit of the title compound, C12H15Br3O3, two of which have approximate trigonal symmetry, the third being conformationally different as it adopts near mirror symmetry. The crystal structure features C-H?Br inter-actions, a weak C-H?O hydrogen bond, ?-? inter-actions [minimum ring centroid separation = 3.4927?(18)?Å] and a short Br?Br contact [3.5894?(5)?Å], resulting in a three-dimensional supramolecular network.

| S-EPMC3647873 | biostudies-other

2,4,5-Tris(pyridin-4-yl)-1H-imidazole monohydrate.

Project description:In the crystal structure of the title compound, C(18)H(13)N(5)·H(2)O, adjacent mol-ecules are linked by O-H?N and N-H?O hydrogen bonds, generating a chain propagating along [001].

| S-EPMC3254476 | biostudies-literature

2,4,5-Tris(pyridin-4-yl)-4,5-dihydro-1,3-oxazole.

Project description:In the title compound, C(18)H(14)N(4)O, the mol-ecules are disordered about a crystallographic twofold axis, leading to 50:50 disorder of the O- and N-atom sites within the oxazole ring. As a consequence, symmetry-related oxazole C-N and C-O bonds are averaged. The oxazole ring makes a dihedral angle of 6.920?(1)° with the pyridyl ring in the 2-position and 60.960?(2)° with the pyridyl rings in the 4- and 5-positions.

| S-EPMC3379436 | biostudies-literature

Bis(2-bromo-benz-yl) tris-ulfide.

Project description:The title mol-ecule, C(14)H(12)Br(2)S(3), lies on a crystallographic twofold rotation axis which bis-ects the S-S-S angle. The dihedral angle between the two symmetry-related benzene rings is 89.91?(9)°. In terms of hybridization principles, the S-C-C angle is slightly larger than expected.

| S-EPMC2968175 | biostudies-literature

4,4',4''-Tris(2-pyrid-yl)-2,2',2''-[(2,4,6-trimethyl-benzene-1,3,5-tri-yl)tris-(methyl-ene)tris-(sulfanedi-yl)]tripyrimidine.

Project description:The title compound, C(39)H(33)N(9)S(3), features a mesitylene unit substituted with three thio-ether arms. The distances from the center of mesitylene unit to the N atoms of the three pyridine rings in the arms are 10.05?(1), 9.94?(3) and 8.79?(3)?Å. The crystal structure shows weak intra-molecular C-H?N hydrogen bonds.

| S-EPMC2977171 | biostudies-literature

6-(4-Bromo-phen-yl)-2-eth-oxy-4-(2,4,5-trimethoxy-phen-yl)nicotinonitrile.

Project description:There are two mol-ecules in the asymmetric unit of the title compound, C(23)H(21)BrN(2)O(4), which differ in the conformation of their ethoxy residues, i.e. almost co-planar with the pyridine ring in one mol-ecule [C-O-C-C = -174.0?(2)°] but almost perpendicular in the other [C-O-C-C = 92.8?(3)°]. The dihedral angles between the central pyridine ring and the 4-bromo-phenyl and 2,4,5-trimethoxy-phenyl rings are 11.05?(12) and 63.78?(12)°, respectively, in one mol-ecule; the corres-ponding angles in the other mol-ecule are 30.38?(13) and 65.38?(13)°, respectively. In the crystal structure, pairs of mol-ecules are arranged in a face-to-face sandwich structure which further stacks along the b axis. The crystal packing features C-H?? inter-actions and Br?O [3.5417?(17)?Å], Br?C [3.748?(3)?Å], C?N [3.376?(4)?Å] and C?O [3.351?(3)-3.409?(3)?Å] contacts. Finally, ??? inter-actions [centroid?centroid distances = 3.6346?(19) and 3.6882?(19)?Å] are observed.

| S-EPMC2983629 | biostudies-literature

2,4,6-Trimethyl-1,3,5-tris-(morpholino-meth-yl)benzene.

Project description:In the title compound, C(24)H(39)N(3)O(3), the H atoms of the methyl groups are disordered over two positions, with site-occupation factors fixed at 0.5. The three morpholino groups are arranged in an asymmetrical fashion with respect to the anchoring mesitylene ring and adopt chair conformations. Inter-molecular C-H?? inter-actions link the mol-ecules into a one-dimensional chain structure.

| S-EPMC2961465 | biostudies-literature

2-Bromo-4,4-dimethyl-1-(2,4,5-trimethoxy-phen-yl)pentan-3-one.

Project description:The three meth-oxy groups of the title compound, C(16)H(23)BrO(4), are almost coplanar with the attached aromatic ring, forming dihedral angles of 7.19?(13), 2.48?(13) and 7.24?(12)°. The crystal structure shows an intra-molecular and an inter-molecular C-H?O inter-action.

| S-EPMC2969792 | biostudies-literature

2,3-Bis(bromo-meth-yl)-1,4-diphenyl-benzene.

Project description:In the title compound, C(20)H(16)Br(2), the terminal phenyl groups are twisted away from the central ring by approximately 55 and -125° (average of four dihedral angles each), respectively. The crystal structure is stabilized by a combination of inter-molecular and intra-molecular inter-actions including inter-molecular ?-? stacking inter-actions [C atoms of closest contact = 3.423?(5)?Å].

| S-EPMC2980209 | 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