Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Octane-1,8-diyldipyridinium dibromide dihydrate.

ABSTRACT: The asymmetric unit of the title compound, C(18)H(26)N(2) (2+)·2Br(-)·2H(2)O, consists of one-half of the organic cation, one Br(-) anion and one water mol-ecule. The organic cation is situated on a centre of inversion. The dihedral angle between the pyridine ring and the plane of the central linkage is 59.3?(1)°. The cations, anions and water mol-ecules are linked via O-H?Br, C-H?Br and C-H?O hydrogen bonds, forming a three-dimensional framework.

SUBMITTER: Xiao X

PROVIDER: S-EPMC2915246 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Octane-1,8-diyldipyridinium dibromide dihydrate.

Xiao Xin X Jiang Ping-Yue PY Zhang Yun-Qian YQ Xue Sai-Feng SF Zhu Qian-Jiang QJ

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

The asymmetric unit of the title compound, C(18)H(26)N(2) (2+)·2Br(-)·2H(2)O, consists of one-half of the organic cation, one Br(-) anion and one water mol-ecule. The organic cation is situated on a centre of inversion. The dihedral angle between the pyridine ring and the plane of the central linkage is 59.3 (1)°. The cations, anions and water mol-ecules are linked via O-H⋯Br, C-H⋯Br and C-H⋯O hydrogen bonds, forming a three-dimensional framework. ...[more]

PMID: 21200747

Similar Datasets

2,2'-Ethyl-enediisoquinolinium dibromide dihydrate.

Project description:In the title compound, C(20)H(18)N(2) (2+)·2Br(-)·2H(2)O, the complete dication is generated by a crystallographic centre of symmetry. In the crystal, O-H?Br, C-H?Br and C-H?O hydrogen bonds and ?-? stacking [shortest centroid-centroid separation = 3.657?(2)?Å] help to establish the packing.

| S-EPMC2971299 | biostudies-literature

3,6-Diaza-octane-1,8-diaminium diiodide.

Project description:The asymmetric unit of the title salt, C(6)H(20)N(4) (2+)·2I(-), comprises half a 3,6-diaza-octane-1,8-diaminium dication plus an I(-) anion. The dications are symmetrical and lie across crystallographic centres of inversion. In the crystal, the ions form a network involving mainly weak N-H?I inter-molecular inter-actions: two H atoms of the ammonium group form inter-actions with two I(-) anions and the H atom of the secondary amine forms a weak inter-action with a third I(-) cation. The third ammonium H atom is hydrogen bonded to a secondary amine of an adjacent cation. The backbone of the cation does not form a uniformly trans chain, but is 'kinked' [C-N-C-C torsion angle = 71.5?(2)°], probably to accommodate the direct hydrogen bond between the ammonium group and the secondary amine in an adjacent cation.

| S-EPMC3414312 | biostudies-literature

1,4-Dimethyl-piperazine-1,4-diium dibromide dihydrate.

Project description:In the title hydrated mol-ecular salt, C(6)H(16)N(2) (2+)·2Br(-)·2H(2)O, the complete 1,4-dimethyl-piperazine-1,4-diium dication is generated by crystallographic inversion symmetry and both exocyclic C-N bonds are in equatorial orientations. In the crystal, the components are linked by N-H?O and O-H?Br hydrogen bonds, generating chains propagating in [110].

| S-EPMC3379296 | 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 π-π stacking inter-actions between adjacent pyridine rings, with a centroid-centroid separation of 3.8518 (17) Å.

| S-EPMC2960452 | biostudies-literature

1,8-Bis(3-chloro-anilino)-N,N'-bis-(3-chloro-phen-yl)octane-1,8-diimine.

Project description:There are two half-mol-ecules in the asymmetric unit of the title compound, C(32)H(30)Cl(4)N(4), in both of which the N-H bonds are syn to the meta-chloro substituents in the adjacent benzene ring. The other two Cl atoms of these two mol-ecules are disordered with occunpancy ratios of 0.79 (2):0.21 (2) and 0.68 (1):0.32 (1). Adjacent chloro-phenyl rings make dihedral angles of 74.3 (2) and 63.0 (2)° in the two mol-ecules. In the crystal, inter-molecular N-H⋯N hydrogen bonds link the mol-ecules into infinite chains.

| S-EPMC3051938 | biostudies-literature

4,4'-Dibromo-2,2'-[octane-1,8-diylbis(nitrilo-methanylyl-idene)]diphenol.

Project description:The title compound, C(22)H(26)Br(2)N(2)O(2), has a centre of inversion that is located in the middle of the octyl chain; the chain displays an extended zigzag conformation. A short intra-molecular O-H⋯N hydrogen bond occurs.

| S-EPMC3200938 | biostudies-literature

N,N'-Bis(4-pyridylmethyl-ene)octane-1,8-diamine.

Project description:The complete molecule of the title compound, C(20)H(26)N(4), is generated by a crystallographic centre of inversion and the central eight-carbon chain adopts a fully extended conformation. In the crystal, the molecules pack in layers parallel to (010).

| S-EPMC2977232 | biostudies-other

2,2'-[1,1'-(Octane-1,8-diyldioxy-dinitrilo)diethyl-idyne]diphenol.

Project description:The title compound, C(24)H(32)N(2)O(4), has a crystallographic inversion centre at the mid-point of the central C-C bond. At each end of the mol-ecule, intra-molecular O-H?N hydrogen bonds generate six-membered S(6) ring motifs. The crystal structure is stabilized by pairs of weak inter-molecular C-H?O hydrogen bonds that link neighbouring mol-ecules into R(2) (2)(40) ring motifs, which in turn form infinite one-dimensional supra-molecular ribbon structures.

| S-EPMC2970437 | biostudies-other

2,2'-[Octane-1,8-diyldioxy-bis(nitrilo-methyl-idyne)]diphenol.

Project description:The complete mol-ecule of the title compound, C(22)H(28)N(2)O(4), is generated by a crystallographic inversion centre at the mid-point of the central C-C bond. The two benzene rings are parallel to each other with a perpendicular inter-planar spacing of 1.488?(2)?Å. Intra-molecular O-H?N hydrogen bonds generate two six-membered rings with S(6) motifs. In the crystal, weak inter-molecular C-H?O hydrogen bonds link neighbouring mol-ecules into an infinite three-dimensional network, which is further stabilized by weak C-H?? inter-actions.

| S-EPMC2980204 | biostudies-other

Crystal structure of octane-1,8-diaminium 4,4'-(diazene-1,2-di-yl)dibenzoate monohydrate.

Project description:The title salt, C8H22N22+·C14H8N2O42-·H2O, represents a pseudo-polymer ionic material, resulting from the self-organizing behavior of 4,4'-azinodibenzoate dianions and doubly protonated, 1,8-diaminium-octane cations in aqueous solution. The asymmetric unit consists of two halves of octane 1,8-diaminium cations (the complete cations are both generated by crystallographic inversion symmetry), a 4,4'-azinodibenzoate anion [dihedral angle between the aromatic rings = 10.22?(4)°] and a water mol-ecule of crystallization. One of the cations is in a fully extended linear conformation while the second one has a terminal C-C-C-N gauche conformation. In the crystal, the cations, anions and water mol-ecules are linked into a three-dimensional network via a complex pattern of charge-assisted N-H?O and O-H?O hydrogen bonds.

| S-EPMC5947496 | 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