Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3,5-Dibromo-2',3',4',5',6'-penta-methyl-1,1'-biphen-yl.

ABSTRACT: In the crystal structure of the title compound, C(17)H(18)Br(2), the benzene rings are almost perpendicular [dihedral angle = 84.0?(3)°]. The crystal structure is consolidated by the presence of C-Br?? inter-actions.

SUBMITTER: Rosca S

PROVIDER: S-EPMC2979585 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

3,5-Dibromo-2',3',4',5',6'-penta-methyl-1,1'-biphen-yl.

Roşca Sorin S Olaru Marian M Raţ Ciprian I CI Silvestru Cristian C

Acta crystallographica. Section E, Structure reports online 20100508 Pt 6

In the crystal structure of the title compound, C(17)H(18)Br(2), the benzene rings are almost perpendicular [dihedral angle = 84.0 (3)°]. The crystal structure is consolidated by the presence of C-Br⋯π inter-actions. ...[more]

PMID: 21579354

Similar Datasets

N-(4,4'-Dibromo-[1,1'-biphen-yl]-2-yl)benzamide.

Project description:In the title compound, C(19)H(13)Br(2)NO, the dihedral angle between the rings of the biphenyl group is 53.59?(14)°. The ring of the benzamide group is inclined to the phenyl rings of the biphenyl group by 23.87?(15) and 75.89?(15)°. There are no significant inter-molecular inter-actions in the crystal structure.

| S-EPMC3569757 | biostudies-literature

3,5-Dimeth-oxy-4'-methyl-biphen-yl.

Project description:The title compound, C15H16O2, crystallizes with three independent mol-ecules in the asymmetric unit. The intra-molecular torsion angle between the aromatic rings of each mol-ecule are -36.4 (3), 41.3 (3) and -37.8 (3)°. In the crystal, the complicated packing of the mol-ecules forms wave-like layers along the b and c axes. The mol-ecules are connected via extensive meth-oxy-phenyl C-H⋯π inter-actions. A weak C-H⋯O hydrogen-bonding network also exists between meth-oxy O atoms and aromatic or meth-oxy H atoms.

| S-EPMC3629539 | biostudies-literature

Crystal structure of (15,20-bis-(2,3,4,5,6-penta-fluoro-phen-yl)-5,10-{(4-methyl-pyridine-3,5-di-yl)bis-[(sulfanediyl-methyl-ene)[1,1'-biphen-yl]-4',2-di-yl]}porphyrinato)nickel(II) di-chloro-methane x-solvate (x > 1/2).

Project description:The title compound, [Ni(C64H33F10N5S2)]·xCH2Cl2, consists of discrete NiII porphyrin complexes, in which the five-coordinate NiII cations are in a distorted square-pyramidal coordination geometry. The four porphyrin nitro-gen atoms are located in the basal plane of the pyramid, whereas the pyridine N atom is in the apical position. The porphyrin plane is strongly distorted and the NiII cation is located above this plane by 0.241?(3)?Å and shifted in the direction of the coordinating pyridine nitro-gen atom. The pyridine ring is not perpendicular to the N4 plane of the porphyrin moiety, as observed for related compounds. In the crystal, the complexes are linked via weak C-H?F hydrogen bonds into zigzag chains propagating in the [001] direction. Within this arrangement cavities are formed, in which highly disordered di-chloro-methane solvate mol-ecules are located. No reasonable structural model could be found to describe this disorder and therefore the contribution of the solvent to the electron density was removed using the SQUEEZE option in PLATON [Spek (2015 ?). Acta Cryst. C71, 9-18].

| S-EPMC6775725 | biostudies-literature

6,6'-Dimeth-oxy-2,2',3,3',5-penta-nitro-1,1'-biphen-yl.

Project description:In the axially chiral title compound, C(14)H(9)N(5)O(12), the dihedral angle between the two benzene rings is 86.0?(8)°. In the crystal structure, the mol-ecules display a two-dimensional framework formed by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC2961469 | biostudies-other

5'-([1,1'-Biphen-yl]-4-yl)-1',1'',3''-tri-methyl-dispiro[indane-2,2'-pyrrolidine-4',5''-[1,3]diazin-ane]-1,3,2'',4'',6''-penta-one.

Project description:In the title compound, C30H25N3O5, the central five-membered heterocyclic ring adopts an envelope conformation, with the N atom as the flap. The dihedral angles between this central ring and the pendant indane ring system, the trione and benzene rings are 87.49?(5), 82.95?(10) and 72.42?(10)°, respectively. The dihedral angle between the rings of the biphenyl group is 45.99?(13)°. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds into [101] C(12) chains.

| S-EPMC4120593 | biostudies-literature

Methyl 3,5-dibromo-4-methyl-benzoate.

Project description:In the title compound, C(9)H(8)Br(2)O(2), the mol-ecule is essentially planar with an r.m.s. deviation of 0.0652?Å from the mean plane through all non-H atoms and a dihedral angle of 7.1?(2)° between the benzene ring plane and the carboxyl-ate substituent. In the crystal structure, weak C-H?Br hydrogen bonds and weak inter-molecular O?Br contacts [3.095?(2)?Å], link adjacent mol-ecules into layers parallel to (102). Additional weak inter-molecular C-H?O hydrogen bond inter-actions stack the layers above and below the mol-ecular plane and down the a axis.

| S-EPMC2983755 | biostudies-literature

3,5-Dibromo-4-oxo-2,2,6,6-tetra-methyl-piperidin-1-yl oxide.

Project description:In the title compound, C(9)H(14)Br(2)NO(2), the substituted ring exhibits a chair conformation. A crystallographic mirror plane, passing through the N atom, the O atoms and the C atom in the 4-position, bis-ects the mol-ecule.

| S-EPMC3238922 | biostudies-literature

(E)-1-([1,1'-Biphen-yl]-4-yl)-3-(2-methyl-phen-yl)prop-2-en-1-one.

Project description:In the title mol-ecule, C22H18O, the o-tolyl ring is connected through a conjugated double bond. The mol-ecule adopts an E conformation and the C-C=C-C torsion angle is 178.77?(13)°. The overall conformation may be described by the values of dihedral angles between the different planes. The terminal rings are twisted by an angle of 54.75?(8)°, while the biphenyl part is not planar, the dihedral angle between the planes of the rings being 40.65?(8)°. The dihedral angle between the benzene rings is 14.10?(7)°. There are three weak C-H?? inter-actions found in the crystal structure. No classic hydrogen bonds are observed.

| S-EPMC4120573 | biostudies-literature

4,4'-Bis(2,2-diphenyl-vin-yl)-1,1'-biphen-yl.

Project description:The title mol-ecule, C(40)H(30), lies on an inversion center. The two unique phenyl rings form dihedral angles of 51.98?(8) and 67.58?(8)° with the essentially planar biphenyl unit [maximum deviation = 0.0360?(14)?Å].

| S-EPMC3050360 | biostudies-literature

3,3',5,5'-Tetra-tert-butyl-2'-hy-droxy-[1,1'-biphen-yl]-2-yl 4-methyl-benzene-sulfonate.

Project description:In the title mol-ecule, C(37)H(48)O(4)S, the benzene rings in the biphenyl fragment are inclined to each other at 61.1 (1)°. The hy-droxy group is involved in a weak intra-molecular O-H⋯O(sulfonate) hydrogen bond. One tert-butyl group is disodered over two orientations in a 0.682 (17):0.318 (17) ratio. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into columns in direction [100].

| S-EPMC3569248 | 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