Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,7-Dibromo-9,9-bis-[(pyridin-1-ium-4-yl)meth-yl]fluorene dinitrate.

ABSTRACT: In the title compound, C(25)H(20)Br(2)N(2) (2+)·2NO(3) (-), the cation lies on a twofold rotation axis which imposes disorder of the dibromo-fluorene unit. In addition, the unique nitrate anion is disordered over two general sites of equal occupancy. The crystal structure is stabilized by inter-molecular N-H?O hydrogen bonds.

SUBMITTER: Jian FF

PROVIDER: S-EPMC2979851 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

2,7-Dibromo-9,9-bis-[(pyridin-1-ium-4-yl)meth-yl]fluorene dinitrate.

Jian Fang-Fang FF Zhao Shan-Shan SS Guo Huan-Mei HM Li Yu-Feng YF Zhao Pu-Su PS

Acta crystallographica. Section E, Structure reports online 20100109 Pt 2

In the title compound, C(25)H(20)Br(2)N(2) (2+)·2NO(3) (-), the cation lies on a twofold rotation axis which imposes disorder of the dibromo-fluorene unit. In addition, the unique nitrate anion is disordered over two general sites of equal occupancy. The crystal structure is stabilized by inter-molecular N-H⋯O hydrogen bonds. ...[more]

PMID: 21579696

Similar Datasets

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

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

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

Project description:In the title mol-ecule, C(41)H(64)B(2)O(4), the fluorene unit is essentially planar and the two octyl chains attached to the central C atom inhibit the mol-ecule from engaging in inter-molecular aromatic inter-actions. One of the octyl chains adopts a fully extended conformation, whereas the second incorporates a single gauche conformation. Of the two pinacolatoboronate groups attached at the 2,7-positions, one is partly disordered; one ring C atom and all four methyl groups are disordered equally over two positions.

| S-EPMC2962215 | 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

1,2-Bis(dibromo-meth-yl)benzene.

Project description:In the title compound, C(8)H(6)Br(4), intra-molecular C-H?Br hydrogen bonds generate two S(6) rings. The two geminal bromine-atom substituents point to opposite sides of the aromatic ring system. In the crystal, mol-ecules are linked by inter-molecular ?-? inter-actions with centroid-centroid distances of 3.727?(9) and 3.858?(9)?Å.

| S-EPMC3254285 | biostudies-literature

9,9-Bis[4-(2-chloro-eth-oxy)phen-yl]-9H-fluorene.

Project description:The title compound, C(29)H(24)Cl(2)O(2), a fluorene derivative, features a C atom that is connected to four phenyl-ene rings, two of which are almost coplanar (r.m.s. deviation = 0.035 Å) as they belong to the fluorene system. The other two rings are aligned at angles of 67.5 (5) and 85.5 (5)° with respect to the pair. The O and Cl atoms of the -OCH(2)CH(2)Cl- units adopt a gauche conformation [torsion angles = 61.6 (6) and 66.6 (5)°].

| S-EPMC3007866 | biostudies-literature

2,7-Bis-(trichloro-meth-yl)-1,8-naphthyridine.

Project description:The complete mol-ecule of the title compound, C(10)H(4)Cl(6)N(2), is generated by crystallographic twofold symmetry, with two C atoms lying on the rotation axis; the 1,8-naphthyridine ring is almost planar with an r.m.s. deviation of 0.0002 Å. In the crystal structure, the mol-ecules are stacked in an anti-parallel manner along [001]. Short Cl⋯Cl [3.3502 (4)] and Cl⋯N [3.2004 (11)-3.2220 (10) Å] contacts are observed in the crystal structure.

| S-EPMC2983609 | biostudies-literature

2-({[(Pyridin-1-ium-2-ylmeth-yl)carbamo-yl]form-amido}-meth-yl)pyridin-1-ium bis-(3,5-di-carb-oxy-benzoate): crystal structure and Hirshfeld surface analysis.

Project description:The asymmetric unit of the title salt, C14H16N4O2 (2+)·2C9H5O6 (-), comprises half a dication, being located about a centre of inversion, and one anion, in a general position. The central C4N2O2 group of atoms in the dication are almost planar (r.m.s. deviation = 0.009 Å), and the carbonyl groups lie in an anti disposition to enable the formation of intra-molecular amide-N-H⋯O(carbon-yl) hydrogen bonds. To a first approximation, the pyridinium and amide N atoms lie to the same side of the mol-ecule [Npy-C-C-Namide torsion angle = 34.8 (2)°], and the anti pyridinium rings are approximately perpendicular to the central part of the mol-ecule [dihedral angle = 68.21 (8)°]. In the anion, one carboxyl-ate group is almost coplanar with the ring to which it is connected [Cben-Cben-Cq-O torsion angle = 2.0 (3)°], whereas the other carboxyl-ate and carb-oxy-lic acid groups are twisted out of the plane [torsion angles = 16.4 (3) and 15.3 (3)°, respectively]. In the crystal, anions assemble into layers parallel to (10-4) via hy-droxy-O-H⋯O(carbon-yl) and charge-assisted hy-droxy-O-H⋯O(carboxyl-ate) hydrogen bonds. The dications are linked into supra-molecular tapes by amide-N-H⋯O(amide) hydrogen bonds, and thread through the voids in the anionic layers, being connected by charge-assisted pyridinium-N-O(carboxyl-ate) hydrogen bonds, so that a three-dimensional architecture ensues. An analysis of the Hirshfeld surface points to the importance of O-H⋯O hydrogen bonding in the crystal structure.

| S-EPMC4770948 | biostudies-literature

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

Project description: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.

| S-EPMC3379388 | biostudies-literature

4-[2-(Pyridin-1-ium-4-yl)eth-yl]pyridin-1-ium bis-(2,6-di-nitro-benzoate).

Project description:The asymmetric unit of the title salt, C12H14N2 (2+)·2C7H3N2O6 (-), comprises half a 4-[2-(pyridin-1-ium-4-yl)eth-yl]pyridin-1-ium dication, being disposed about a centre of inversion, and a 2,6-di-nitro-benzoate anion, in a general position. In the anion, the carboxyl-ate group is inclined to the benzene ring [dihedral angle = 85.45?(9)°], whereas near-coplanar and twisted arrangements are found for the nitro groups [O-N-C-C torsion angles = 179.80?(14) and 20.2?(2)°]. In the crystal, three-component aggregates sustained by charge-assisted N(+)-H?O(-) hydrogen bonds are found and these are consolidated into a three-dimensional architecture by C-H?O and ?-? [inter-centroid distances = 3.6796?(14) and 3.7064?(14)?Å] inter-actions.

| S-EPMC3884282 | 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