Browse
Submit Data
Databases
API
Help

Dataset Information

22 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,5-Dibenzoyl-benzene-1,4-diaminium dichloride.

ABSTRACT: The asymmetric unit of the title compound, C(20)H(18)N(2)O(2) (2+)·2Cl(-), is composed of one-half of the 2,5-dibenzoyl-benzene-1,4-diaminium dication, located on a centre of inversion, and one Cl(-) ion. The dihedral angle between the central benzene ring and the benzoyl phenyl ring is 53.3?(2)°. In the crystal structure, ions are linked to form a two-dimensional network parallel to the (10) plane by N-H?Cl hydrogen bonds.

SUBMITTER: Deng SP

PROVIDER: S-EPMC2960277 | biostudies-literature | 2008 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,5-Dibenzoyl-benzene-1,4-diaminium dichloride.

Deng Shui-Ping SP Liu Shan S Yang Fei F Xu Ji-Ling JL Zhu Hong-Jun HJ

Acta crystallographica. Section E, Structure reports online 20080109 Pt 2

The asymmetric unit of the title compound, C(20)H(18)N(2)O(2) (2+)·2Cl(-), is composed of one-half of the 2,5-dibenzoyl-benzene-1,4-diaminium dication, located on a centre of inversion, and one Cl(-) ion. The dihedral angle between the central benzene ring and the benzoyl phenyl ring is 53.3 (2)°. In the crystal structure, ions are linked to form a two-dimensional network parallel to the (10) plane by N-H⋯Cl hydrogen bonds. ...[more]

PMID: 21201417

Similar Datasets

2-Chloro-benzene-1,4-diaminium bis-(dihydrogenphosphate).

Project description:The asymmetric unit of the title salt, C(6)H(9)ClN(2) (2+)·2H(2)PO(4) (-), contains two dihydrogenphosphate anions and one 2-chloro-benzene-1,4-diaminium dication. The H(2)PO(4) (-) anions are inter-connected through strong O-H?O hydrogen bonds to form two-dimensional infinite layers parallel to (001). The organic entities are anchored to the inorganic layers through N-H?O hydrogen bonds, and through weak C-Cl?O halogen bonds [3.159?(2)?Å, 140.48?(7)°]. No ?-? stacking inter-actions between neighboring aromatic rings or C-H?? inter-actions towards them are observed. Minor disorder is observed for the Cl atom and one hy-droxy group [minor-component occupancy = 3.29?(9)%].

| S-EPMC3569226 | biostudies-literature

1,4-Dibromo-2,5-dibut-oxy-benzene.

Project description:The asymmetric unit of the title compound, C(14)H(20)Br(2)O(2), contains one half-mol-ecule located on an inversion centre. The mol-ecule is essentially planar, with a maximum deviation from the best plane of the non-H atoms of 0.054?(2)?Å for the O atoms. The but-oxy group adopts a fully extended all-trans conformation. In the crystal, mol-ecules are connected via C-Br?O halogen bonds [Br?O = 3.2393?(19)?Å] into a two-dimensional corrugated network in the bc plane.

| S-EPMC3435705 | biostudies-literature

1,4-Bis(dimethyl-silyl)-2,5-diphenyl-benzene.

Project description:The mol-ecule of the title compound, C(22)H(26)Si(2), is centrosymmetric. The dihedral angle between the central benzene ring and its phenyl substituents is 67.7?(2)°. The crystal packing is stabilized by van der Waals forces.

| S-EPMC2983822 | biostudies-literature

1,4-Dibromo-2,5-bis-(hex-yloxy)benzene.

Project description:In the centrosymmetric title compound, C(18)H(28)Br(2)O(2), the alkyl chains adopt a fully extended all-trans conformation and each of them is almost planar. In addition, the alkyl chains are coplanar with the benzene ring. Inter-molecular Br?Br inter-actions [3.410?(3)?Å] are present, resulting in a one-dimensional supra-molecular architecture.

| S-EPMC2959468 | biostudies-literature

1,4-Bis(hex-yloxy)-2,5-diiodo-benzene.

Project description:The centrosymmetric title compound, C(18)H(28)I(2)O(2), crystallized in the monoclinic space group P2(1)/c with the alkyl chains having extended all-trans conformations, similar to those in the centrosymmetric bromo analogue [Li et al. (2008 ▶). Acta Cryst. E64, o1930] that crystallized in the triclinic space group P. The difference between the two structures lies in the orientation of the two alkyl chains with respect to the C(aromatic)-O bond. In the title compound, the O-C(alk-yl)-C(alk-yl)-C(alk-yl) torsion angle is 55.8 (5)°, while in the bromo analogue this angle is -179.1 (2)°. In the title compound, the C-atoms of the alkyl chain are almost coplanar [maximum deviation of 0.052 (5) Å] and this mean plane is inclined to the benzene ring by 50.3 (3)°. In the bromo-analogue, these two mean planes are almost coplanar, making a dihedral angle of 4.1 (2)°. Another difference between the crystal structures of the two compounds is that in the title compound there are no halide⋯halide inter-actions. Instead, symmetry-related mol-ecules are linked via C-H⋯π contacts, forming a two-dimensional network.

| S-EPMC2983920 | biostudies-literature

Crystal structure of N,N-di-ethyl-benzene-1,4-diaminium dinitrate.

Project description:In the structure of the title mol-ecular salt, C10H18N2 (2+)·2NO3 (-), the dinitrate salt of 4-(N,N-di-ethyl-amino)-aniline, the two ethyl groups lie almost perpendicular to the plane of the benzene ring [the ring-to-ethyl C-C-N-C torsion angles are -59.5?(2) and 67.5?(3)°]. The aminium groups of the cation form inter-species N-H?O hydrogen bonds with the nitro O-atom acceptors of both anions, giving rise to chain substructures lying along c. The chains are linked via further N-H?O hydrogen bonds, forming two-dimensional networks lying parallel to (010). These sheets are linked by C-H?O hydrogen bonds, forming a three-dimensional structure.

| S-EPMC4257297 | biostudies-literature

1,4-Di-n-hept-yloxy-2,5-dinitro-benzene.

Project description:The complete molecule of the title compound, C(20)H(32)N(2)O(6), is generated by crystallographic inversion symmetry. The two mutually trans nitro substituents are hence in fully eclipsed conformation and also twisted by 43.2?(2)° with respect to the phenyl ring plane. The benzene-connected portions of the alk-oxy substituents lie almost coplanar with the ring [C-O-C-C torsion angle = 2.0?(2)°]. In the crystal, weak C-H?O interactions link the molecules.

| S-EPMC2980120 | biostudies-literature

1,4-Di-bromo-2,5-di-p-toluoyl-benzene.

Project description:In the title compound, C22H16Br2O2, which has approximate non-crystallographic inversion symmetry, the dihedral angles between the central ring and the pendant rings are 89.1?(4) and 82.4?(3)°; the dihedral angle between the pendant rings is 12.1?(4)°. In the crystal, the packing is influenced by van der Waals forces and no aromatic ?-? stacking is observed.

| S-EPMC3884439 | biostudies-literature

Bis(dimethyl-ammonium) 2,5-dihy-droxy-benzene-1,4-disulfonate.

Project description:In the crystal of the title salt, 2C(2)H(8)N(+)·C(6)H(4)O(8)S(2) (2-), the anion lies on a center of inversion. The dimethyl-ammonium cation forms one N-H?O hydrogen bond and another bifurcated N-H?O hydrogen bond. The hy-droxy group links with the sulfonyl group via an inter-molecular O-H?O hydrogen bond. These N-H?O and O-H?O hydrogen bonds generate a three-dimensional network.

| S-EPMC3275289 | biostudies-literature

1,4-Dibromo-2,5-dimeth-oxy-benzene.

Project description:The asymmetric unit of the title compound, C(8)H(8)Br(2)O(2), contains one half-mol-ecule, the complete mol-ecule being generated by inversion symmetry.

| S-EPMC3006813 | biostudies-other

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