Browse
Submit Data
Databases
API
Help

Dataset Information

32 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-(2-Bromo-ethyl)-1,4-diazo-niabicyclo-[2.2.2]octane bromide tetra-fluoro-borate.

ABSTRACT: In the crystal of the title compound, C(8)H(17)BrN(2) (2+)·Br(-)·BF(4) (-), a weak inter-molecular N-H?Br hydrogen bond is observed between the cation and the bromide anion. A two-part disorder model was applied to the BF(4) (-) anion with a refined major-minor occupancy ratio of 0.837?(14):0.163?(14).

SUBMITTER: Xiao JM

PROVIDER: S-EPMC2979572 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1-(2-Bromo-ethyl)-1,4-diazo-niabicyclo-[2.2.2]octane bromide tetra-fluoro-borate.

Xiao Jing-Mei JM

Acta crystallographica. Section E, Structure reports online 20100515 Pt 6

In the crystal of the title compound, C(8)H(17)BrN(2) (2+)·Br(-)·BF(4) (-), a weak inter-molecular N-H⋯Br hydrogen bond is observed between the cation and the bromide anion. A two-part disorder model was applied to the BF(4) (-) anion with a refined major-minor occupancy ratio of 0.837 (14):0.163 (14). ...[more]

PMID: 21579433

Similar Datasets

1-(2-Bromo-ethyl)-1,4-diazo-niabicyclo-[2.2.2]octane bromide dihydrogen phosphate-phospho-ric acid (1/1).

Project description:In the crystal structure of the title compound, C(8)H(17)BrN(2) (2+)·Br(-)·H(2)PO(4) (-)·H(3)PO(4), the cations, anions and phospho-ric acid mol-ecules are linked by O-H?O, N-H?O and O-H?Br hydrogen bonds into layers parallel to (101).

| S-EPMC2979413 | biostudies-literature

1,4-Diazo-niabicyclo-[2.2.2]octane terephthalate.

Project description:In the title compound, C(6)H(14)N(2+)·C(8)H(4)O(4) (2-), the protonated 1,4-diazo-niabicyclo-[2.2.2]octane cations and the deprotonated terephthalate anions are alternately linked by N-H?O hydrogen bonds into chains.

| S-EPMC2960572 | biostudies-literature

1-Chloro-methyl-1,4-diazo-niabicyclo-[2.2.2]octane bis-(hexa-fluoro-phosphate).

Project description:In the crystal structure of the title compound, C(7)H(15)ClN(2) (2+)·2PF(6) (-), the cations and anions are linked by inter-molecular N-H⋯F hydrogen bonds.

| S-EPMC3051799 | biostudies-literature

1,4-Diazo-niabicyclo-[2.2.2]octane tetra-chloridozincate monohydrate.

Project description:In the title compound, (C(6)H(14)N(2))[ZnCl(4)]·H(2)O, the crystal packing is governed by an extensive three-dimensional network of N-H⋯Cl, N-H⋯O and O-H⋯Cl hydrogen bonds. The zinc(II) metal centre has a slightly distorted tetra-hedral coordination geometry.

| S-EPMC2977617 | biostudies-literature

1-Bromo-methyl-1,4-diazo-niabicyclo-[2.2.2]octane tetra-chloridozincate.

Project description:The reaction of 1-bromo-methyl-1,4-diazo-niabicyclo-[2.2.2]octane bromide, zinc chloride and hydro-chloric acid in water yields the title compound, (C(7)H(15)BrN(2))[ZnCl(4)]. In the crystal, the components are linked by N-H?Cl hydrogen bonds. The Zn(II) atom has an approximately tetra-hedral coordination geometry.

| S-EPMC3200836 | biostudies-other

1,4-Diazo-niabicyclo-[2.2.2]octane tetra-bromidocadmate(II) monohydrate.

Project description:The metal atom in the anion of the title salt, (C(6)H(14)N(2))[CdBr(4)]·H(2)O, shows a slightly distorted tetra-hedral coordination. The water mol-ecule is involved in three hydrogen bonds, viz. one N-H?O and two O-H?Br, and an N-H?Br inter-action consolidates the three-dimensional network.

| S-EPMC2977123 | biostudies-literature

1,4-Diazo-niabicyclo-[2.2.2]octane bis-(2,4,6-trinitro-phenolate).

Project description:In the title compound, C(6)H(14)N(2) (2+)·2C(6)H(2)N(3)O(7) (-), the cation possesses crystallographically imposed twofold rotation symmetry. In the crystal structure, the cation and anions are linked into a trimeric aggregate by inter-molecular N-H⋯O hydrogen bonds. The trimeric units are further connected by π-π inter-actions [centroid-centroid distances = 3.507 (2)-3.660 (3) Å], forming layers parallel to the bc plane.

| S-EPMC3006919 | biostudies-literature

1,4-Diazo-niabicyclo-[2.2.2]octane tetra-chloroiodate(III) chloride.

Project description:In the title compound, C(6)H(14)N(2) (2+)·Cl(4)I(-)·Cl(-), the dication and the anions lie on special positions. The dication has mm2 symmetry with two bonded C atoms and the two N atoms located on a crystallographic mirror plane parallel to bc, and with a mirror plane parallel to ab passing through the mid points of the three C-C bonds. In the square-planar Cl(4)I(-) anion, two Cl atoms and the I atom are located on the mm2 axis; the other two Cl atoms are disordered over two postions of equal occupancy (0.25) across the mirror parallel to the ab plane. The Cl(-) anion is located on the mm2 axis. The crystal structure is stabilized by inter-molecular N-H⋯Cl hydrogen bonds.

| S-EPMC2983961 | biostudies-literature

1,4-Diazo-niabicyclo-[2.2.2]octane tetra-bromidocuprate(II) monohydrate.

Project description:In the title monohydrated salt, (C(6)H(14)N(2))[CuBr(4)]·H(2)O, the copper(II) ion is coordinated by the four bromide ions in a flattened tetra-hedral geometry. In the crystal, the cations, anions and water mol-ecules inter-act via N-H⋯O, O-H⋯Br and N-H⋯Br hydrogen bonds, forming chains parallel to the b axis. The chains are further linked by O-H⋯Br hydrogen bonds into layers parallel to the bc plane.

| S-EPMC3051942 | biostudies-literature

1,4-Diazo-niabicyclo-[2.2.2]octane bis-(2-chloro-benzoate).

Project description:The title compound, C(6)H(14)N(2) (2+)·2C(7)H(4)ClO(2) (-), contains trimeric units linked by N-H⋯O hydrogen bonds. The carboxyl-ate groups of the 2-chloro-benzoate anions form dihedral angles of 66.1 (1) and 76.1 (1)° with the respective chloro-benzene rings to which they are bound. The hydrogen-bonded trimers are arranged in layers in the (200) planes and the chloro-benzoate anions form edge-to-face inter-actions between layers, with dihedral angles of 61.9 (1) and 49.8 (1)° and centroid-centroid distances of 4.85 (1) and 4.65 (1) Å, respectively, for two crystallographically distinct inter-actions.

| S-EPMC2962050 | 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