Browse
Submit Data
Databases
API
Help

Dataset Information

23 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,1'-(Butane-1,4-di-yl)diimidazolium dinitrate.

ABSTRACT: In the title compound, C(10)H(16)N(4) (2+)·2NO(3) (-), the organic cation is located around an inversion centre. The imidazolium ring forms a dihedral angle of 62.7?(3)° with the plane defined by the C atoms of the -(CH(2))(4)- aliphatic linker. Two anions bind to the cation via three-centre N-H?O hydrogen bonds and thus discrete hydrogen-bonded ion triples are formed. The nitrate is approximately coplanar with the imidazolium ring to which it binds.

SUBMITTER: Jin S

PROVIDER: S-EPMC2915236 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1,1'-(Butane-1,4-di-yl)diimidazolium dinitrate.

Jin Shouwen S Wang Daqi D

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

In the title compound, C(10)H(16)N(4) (2+)·2NO(3) (-), the organic cation is located around an inversion centre. The imidazolium ring forms a dihedral angle of 62.7 (3)° with the plane defined by the C atoms of the -(CH(2))(4)- aliphatic linker. Two anions bind to the cation via three-centre N-H⋯O hydrogen bonds and thus discrete hydrogen-bonded ion triples are formed. The nitrate is approximately coplanar with the imidazolium ring to which it binds. ...[more]

PMID: 21200734

Similar Datasets

3,3'-Dimethyl-1,1'-(butane-1,4-di-yl)diimidazolium bis-(tetra-fluoro-borate).

Project description:The title compound, C(12)H(20)N(4) (2+)·2BF(4) (-), was prepared by the anion exchange of a dibromide ionic liquid with sodium tetra-fluoro-borate. The asymmetric unit contains one half of the imidazolium cation, which lies about an inversion centre at the mid-point of the central C-C bond of the linking butyl chain. The two planar imidazole rings (r.m.s. deviation = 0.0013?Å) are strictly parallel and separated by 2.625?(7)?Å [vertical distance between the centroids of two imidazole rings], giving the mol-ecule a stepped appearance. In the crystal structure, inter-molecular C-H?F hydrogen bonds link the cations and anions, generating a three-dimensional network.

| S-EPMC2979393 | biostudies-literature

catena-Poly[[[diaqua-copper(II)]-bis-[?-1,1'-(butane-1,4-di-yl)diimidazole-?N:N]] dinitrate].

Project description:In the title compound, {[Cu(C(10)H(14)N(4))(2)(H(2)O)(2)](NO(3))(2)}(n), the Cu(II) ion lies on an inversion center and is six-coordinated in an octa-hedral environment by four N atoms from four different 1,1'-butane-1,4-diyldiimidazole ligands and two O atoms from the two water mol-ecules. Bridging by the ligands results in a ribbon structure. Adjacent ribbons are linked to the nitrate anions via O-H?O hydrogen bonds, forming layers. One nitrate O atom is disordered equally over two positions.

| S-EPMC2960687 | biostudies-literature

1,1'-(Butane-1,4-di-yl)dipyridinium dibromide dihydrate.

Project description:The organic cation in the title compound, C(14)H(18)N(2) (2+)·2Br(-)·2H(2)O, is situated on an inversion centre. The cations, anions and water mol-ecules are linked via O-H?Br, C-H?Br and C-H?O hydrogen bonds, and ?-? stacking inter-actions between adjacent pyridine rings, with a centroid-centroid separation of 3.8518?(17)?Å.

| S-EPMC2960452 | biostudies-literature

1,1'-Dimethyl-1,1'-(butane-1,4-di-yl)dipyrrolidinium dibromide methanol disolvate.

Project description:In the title compound, C(14)H(30)N(2) (2+)·2Br(-)·2CH(3)OH, two terminal C atoms of the butane chain are connected to two N atoms of the 1-methyl-pyrollidines, forming a linear diquaternary ammonium cation. The cation lies across a centre of inversion located between the two central C atoms of the butane chain. The asymmetric unit therefore comprises one half-cation, a bromide anion and a methanol solvent mol-ecule. In the crystal structure, the bromide anions are linked to the methanol solvent mol-ecules by O-H?Br hydrogen bonds.

| S-EPMC2960454 | biostudies-literature

3,3'-Diphenyl-1,1'-(butane-1,4-di-yl)dithio-urea.

Project description:The asymmetric unit of the title compound, C(18)H(22)N(4)S(2), contains one half-mol-ecule, the complete mol-ecule being generated by crystallographic inversion symmetry. The crystal structure features two inter-molecular N-H?S hydrogen-bonding inter-actions, the first generating an infinite chain along the b axis and the second an infinite chain along the a axis, together forming an inter-locking structure.

| S-EPMC3200795 | biostudies-literature

3,3'-(Butane-1,4-di-yl)diimidazole-1,1'-diium bis-(triiodide).

Project description:The cations and anions of the salt, C(10)H(16)N(4) (2+)·2I(3) (-), are linked by N-H?I hydrogen bonds and ?-? stacking inter-actions(with interplanar distances of 3.575 and 3.528?Å) into a three-dimensional supra-molecular network. The asymmetric unit contains two anions and two half-cations; each cation is centrosymmetric.

| S-EPMC2962153 | biostudies-literature

1,1'-(Butane-1,4-di-yl)bis-[2-(pyridin-2-yl)-1H-benzimidazole].

Project description:The complete mol-ecule of the title compound, C(28)H(24)N(6), is generated by inversion symmetry with the inversion centre located at the mid-point of the central C-C bond of the butanediyl unit. The benzimidazole and pyridine rings are almost coplanar, the dihedral angle between their mean planes being 6.86?(11)°.

| S-EPMC3344554 | biostudies-literature

Poly[[[diaqua-cobalt(II)]-bis-[?(2)-1,1'-(butane-1,4-di-yl)diimidazole-?N:N]] dinitrate].

Project description:In the title compound, {[Co(C(10)H(14)N(4))(2)(H(2)O)(2)](NO(3))(2)}(n), the Co(II) ion lies on an inversion center and is six-coordinated in an octa-hedral environment by four N atoms from four different 1,1'-butane-1,4-diyldiimidazole ligands and two O atoms from the two water mol-ecules. The Co(II) atoms are bridged by ligands, generating a two-dimensional (4,4)-network. Adjacent fishnet planes are linked to the nitrate anions via O-H?O hydrogen bonds, forming a three-dimensional supra-molecular structure.

| S-EPMC2968530 | biostudies-other

Terephthalic acid-2,2'-dimethyl-1,1'-(butane-1,4-di-yl)dibenzimidazole (2/3).

Project description:In the crystal structure of the title compound, 2C(8)H(6)O(4)·3C(20)H(22)N(4), there are three independent 2,2'-dimethyl-1,1'-(butane-1,4-di-yl)dibenzimidazole mol-ecules, each of which lies on an inversion centre. The terephthalic acid mol-ecules are linked to adjacent 2,2'-dimethyl-1,1'-(butane-1,4-di-yl)dibenzimidazole mol-ecules via O-H?N hydrogen bonds.

| S-EPMC2961189 | biostudies-literature

1,1'-(Butane-1,4-di-yl)diimidazole-3,3'-diium tetra-chloridozincate(II) dihydrate.

Project description:In the title compound, (C(10)H(16)N(4))[ZnCl(4)]·2H(2)O, the cation lies abouton a center of inversion and the anion about a twofold rotation axis. The Zn(II) atom is four-coordinate in a tetra-hedral environment. The cations, anions and water mol-ecules are linked by N-H?O, N-H?Cl and O-H?Cl hydrogen bonds into a two-dimensional network.

| S-EPMC2961250 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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