Browse
Submit Data
Databases
API
Help

Dataset Information

31 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N,N'-[1,4-Phenyl-enebis(methyl-ene)]bis-(N,N-diethyl-ethanaminium) dibromide.

ABSTRACT: In the crystal structure of the title compound, C(20)H(38)N(2) (2+)·2Br(-), the centroid of the aromatic ring is located on an inversion center, so that the asymmetric unit consists of one-half mol-ecule of the dication and one bromide anion. C-H?Br inter-actions connect the two components into a three-dimensional network. An intra-molecular C-H?? inter-action is also observed.

SUBMITTER: Abdul Rahim MS

PROVIDER: S-EPMC3275048 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N,N'-[1,4-Phenyl-enebis(methyl-ene)]bis-(N,N-diethyl-ethanaminium) dibromide.

Abdul Rahim Munirah Sufiyah MS Khaledi Hamid H Alias Yatimah Y Welz-Biermann Urs U

Acta crystallographica. Section E, Structure reports online 20120111 Pt 2

In the crystal structure of the title compound, C(20)H(38)N(2) (2+)·2Br(-), the centroid of the aromatic ring is located on an inversion center, so that the asymmetric unit consists of one-half mol-ecule of the dication and one bromide anion. C-H⋯Br inter-actions connect the two components into a three-dimensional network. An intra-molecular C-H⋯π inter-action is also observed. ...[more]

PMID: 22346993

Similar Datasets

1,1'-{[1,4-Phenyl-enebis(methyl-ene)]bis-(-oxy)bis-(4,1-phenyl-ene)}diethanone.

Project description:The centroid of the central aromatic ring of the title mol-ecule, C(24)H(22)O(4), is located on an inversion center. The dihedral angle between the central and terminal benzene rings is 75.00 (7)°. In the crystal, mol-ecules are linked through C-H⋯O hydrogen bonds into chains along [121]. The chains are connected into layers via C-H⋯π inter-actions.

| S-EPMC3238835 | biostudies-literature

1,1'-{[1,4-Phenyl-enebis(methyl-ene)]bis-(-oxy)bis-(3,1-phenyl-ene)}diethanone.

Project description:In the title compound, C(24)H(22)O(4), the centroid of the central benzene ring lies on a special position of 2/m site symmetry, while the terminal aromatic rings are located on a mirror plane. The central and terminal benzene rings are perpendic-ular to each other. In the crystal, the mol-ecules are connected via C-H⋯O hydrogen bonds into a three-dimensional polymeric structure. The network is further consolidated by a C-H⋯π inter-action.

| S-EPMC3238815 | biostudies-literature

3,3'-[1,2-Phenyl-enebis(methyl-ene)]bis-(1-ethyl-benzimidazolium) dibromide.

Project description:In the title mol-ecular salt, C(26)H(28)N(4) (2+)·2Br(-), the central benzene ring makes dihedral angles of 76.75?(11) and 82.40?(10)° with the pendant benzimidazole rings. The corresponding angle between the benzimidazole rings is 57.03?(9)°. In the crystal, the cations and anions are linked via C-H?Br hydrogen bonds, forming sheets lying parallel to the bc plane. The crystal structure also features weak C-H?? inter-actions.

| S-EPMC3297300 | biostudies-literature

1,1'-{2,2'-[1,4-Phenyl-enebis(methyl-ene)]bis-(-oxy)bis-(2,1-phenyl-ene)}diethanone.

Project description:The asymmetric unit of the title compound, C(24)H(22)O(4), contains one half-mol-ecule, the other half being generated by a crystallographic center of inversion. The central benzene ring makes a dihedral angle of 72.49?(5)° with the terminal benzene ring. In the crystal, adjacent mol-ecules are linked through C-H?O inter-actions, forming a sheet structure parallel to the bc plane. The sheets are stacked along the a axis via ?-? inter-actions formed between the terminal benzene rings [centroid-centroid separation = 3.7276?(6)?Å].

| S-EPMC3247415 | biostudies-literature

3,3'-[1,2-Phenyl-enebis(methyl-ene)]bis-(1-heptyl-benzimidazolium) dibromide monohydrate.

Project description:In the title salt, C(36)H(48)N(4) (2+)·2Br(-)·H(2)O, the central benzene ring makes dihedral angles of 84.77?(9) and 69.92?(7)° with the adjacent imidazole rings. In the crystal, one of the heptyl groups is disordered over two sets of sites with an occupancy ratio of 0.474?(5):0.526?(5). In the crystal, the cations, anions and water mol-ecules are connected via inter-molecular O-H?Br, C-H?Br and C-H?O hydrogen bonds, forming a three-dimensional network.

| S-EPMC3152130 | biostudies-literature

3,3'-[1,2-Phenyl-enebis(methyl-ene)]bis-(1-propyl-benzimidazolium) dibromide hemihydrate.

Project description:The asymmetric unit of the title compound, C(28)H(32)N(4) (2+)·2Br(-)·0.5H(2)O, contains one 3,3'-[1,2-phenyl-enebis(methyl-ene)]bis-(1-propyl-benzimidazolium) cation, two bromide anions and one half-mol-ecule of water. In the crystal, the whole 3,3'-[1,2-phen-yl-enebis(methyl-ene)]bis-(1-propyl-benzimidazolium) cation and one of the bromide anions are each disordered over two positions with site-occupancy ratios of 0.751?(6):0.249?(6) and 0.680?(8):0.320?(8). For the major component of the disordered cation, the central benzene ring forms dihedral angles of 83.6?(5) and 88.2?(4)° with its adjacent imidazole rings, while these angles for the minor component are 89.2?(15) and 84.9?(13)°. In the crystal, the cations and anions are linked by C-H?Br hydrogen bonds into dimers and then stacked along the c axis. The crystal packing is further stabilized by C-H?? and ?-? inter-actions [shortest centroid-centroid distance = 3.646?(4)?Å].

| S-EPMC3275219 | biostudies-literature

1,4-Phenyl-enebis(methyl-ene) dicarbamate.

Project description:The title compound, C(10)H(12)N(2)O(4), is a phenyl dicarbamate with crystallographically imposed inversion symmetry. The dihedral angle between the carbamo-yloxy plane [i.e. the plane of the N-C(O)-O fragment; r.m.s. deviation = 0.002?(3)?Å] and the plane of the aryl ring is 29.2?(1)°. In the crystal, two different centrosymmetric N-H?O hydrogen-bond inter-actions are observed; these are described as R(2) (2)(8) and R(2) (4)(8) in graph-set notation. The rings form an alternating sequence, linking the mol-ecules into a sheet structure parallel to (011).

| S-EPMC3344159 | biostudies-literature

[1,4-Phenyl-enebis(methyl-ene)]bis-(tri-phenyl-phospho-nium) bis-(tetra-fluoro-borate).

Project description:The crystal structure of the title salt, C(44)H(38)P(2) (2+)2BF(4) (-), consists of discrete dications inter-laced with the BF(4) (-) counter-ions. In each cation, both phospho-nium groups lie on the same side of the plane of the central benzene ring. The tetra-fluoro-borate anions are involved in intensive thermal motion, thus some B-F bond lengths [range 1.329 (6) to 1.391 (6) Å] deviate significantly from their standard values.

| S-EPMC3239032 | biostudies-literature

3,3'-[1,2-Phenyl-enebis(methyl-ene)]bis-(1-octylbenzimidazolium) dibromide monohydrate.

Project description:In the title hydrated mol-ecular salt, C(38)H(52)N(4) (2+)·2Br(-)·H(2)O, the central benzene ring of the dication makes dihedral angles of 89.47?(13) and 72.69?(12)° with the pendant benzimidazol-3-ium rings. The conformations of the octyl side chains are completely different. In the crystal, the components are linked by O-H?Br, C-H?Br and C-H?O hydrogen bonds into a two-dimensional network lying parallel to the ac plane. Aromatic ?-? stacking inter-actions are also observed [shortest centroid-to-centroid separation = 3.5047?(16)?Å].

| S-EPMC3343909 | biostudies-other

Crystal structures and Hirshfeld surface analyses of 4,4'-{[1,3-phenyl-enebis(methyl-ene)]bis-(-oxy)}bis-(3-meth-oxy-benzaldehyde) and 4,4'-{[(1,4-phenyl-ene-bis(methyl-ene)]bis-(-oxy)}bis-(3-meth-oxy-benzalde-hyde).

Project description:The title compounds, C24H22O6 (I) and C24H22O6 (II), each crystallize with half a mol-ecule in the asymmetric unit. The whole mol-ecule of compound (I) is generated by twofold rotation symmetry, the twofold axis bis-ecting the central benzene ring. The whole mol-ecule of compound (II) is generated by inversion symmetry, the central benzene ring being located on an inversion center. In (I), the outer benzene rings are inclined to each other by 59.96 (10)° and by 36.74 (9)° to the central benzene ring. The corresponding dihedral angles in (II) are 0.0 and 89.87 (12)°. In the crystal of (I), mol-ecules are linked by C-H⋯O hydrogen bonds and C-H⋯π inter-actions, forming ribbons propagating along the [10] direction. In the crystal of (II), mol-ecules are linked by C-H⋯O hydrogen bonds, forming a supra-molecular framework. The Hirshfeld surface analyses indicate that for both compounds the H⋯H contacts are the most significant, followed by O⋯H/H⋯O and C⋯H/H⋯C contacts.

| S-EPMC6658956 | 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