Browse
Submit Data
Databases
API
Help

Dataset Information

21 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,2',5,5'-Tetra-chloro-benzidine.

ABSTRACT: In the crystal structure of the title compound, C(12)H(8)Cl(4)N(2), mol-ecules lie on crystallographic twofold axes at the centre of the C-C bonds linking the benzene rings, such that the asymmetric unit consists of a half-mol-ecule. The individual mol-ecules participate in inter-molecular N-H?N, N-H?Cl, C-H?Cl and Cl?Cl [3.4503?(3)?Å] inter-actions.

SUBMITTER: Ugono O

PROVIDER: S-EPMC3008068 | biostudies-literature | 2010 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,2',5,5'-Tetra-chloro-benzidine.

Ugono Onome O Douglas Marcel M Rath Nigam P NP Beatty Alicia M AM

Acta crystallographica. Section E, Structure reports online 20100811 Pt 9

In the crystal structure of the title compound, C(12)H(8)Cl(4)N(2), mol-ecules lie on crystallographic twofold axes at the centre of the C-C bonds linking the benzene rings, such that the asymmetric unit consists of a half-mol-ecule. The individual mol-ecules participate in inter-molecular N-H⋯N, N-H⋯Cl, C-H⋯Cl and Cl⋯Cl [3.4503 (3) Å] inter-actions. ...[more]

PMID: 21588639

Similar Datasets

3,3',5,5'-Tetra-bromo-2,2'-bithio-phene.

Project description:The title compound, C(8)H(2)Br(4)S(2), was prepared by bromination of 2,2'-bithio-phene with bromine. The mol-ecule is located on a crystallographic twofold rotation axis, thereby imposing equal geometry of the two thio-phene rings. Each five-membered ring is planar [maximum deviation 0.011 (9) Å] and the dihedral angle between the planes through the rings is 47.2 (4)°. The mol-ecules are arranged to minimize intramolecular contacts between the 3-3' and 5-5'-bromine atoms.

| S-EPMC2977652 | biostudies-literature

N,N'-Diallyl-2,2',5,5'-tetra-chloro-N,N'-[1,3-phenyl-enebis(methyl-ene)]dibenzene-sulfonamide.

Project description:In the title compound, C(26)H(24)Cl(4)N(2)O(4)S(2), the dihedral angles between the central benzene ring and the pendant rings are 70.07 (12) and 59.07 (12)°. The equivalent angle between the pendant rings is 79.24 (12)°. Both sulfonamide groups lie to the same side of the central ring but the pendant chains have very different conformations, as indicated by their C-S-N-C torsion angles [104.66 (17) and -76.35 (19)°] and S-N-C-C torsion angles [129.61 (17) and 147.10 (17)°]. Both N atoms are close to planar (bond angle sums = 359.0 and 354.8°). In the crystal, inversion dimers are formed via a pair of weak C-H⋯O inter-actions which generate R(2) (2)(22) loops.

| S-EPMC3238937 | biostudies-literature

2,2'-Bi-1,3,4-thia-diazole-5,5'-diamine tetra-hydrate.

Project description:In the title compound, C(4)H(4)N(6)S(2)·4H(2)O, the complete organic mol-ecule is generated by crystallographic twofold symmetry and the dihedral angle between the aromatic rings is 10.24 (3)°. In the crystal, inter-molecular N-H⋯N, N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds and aromatic π-π stacking inter-actions [centroid-centroid separations = 3.530 (3) and 3.600 (3) Å] are observed.

| S-EPMC3007951 | biostudies-literature

2,2',4,4',6,6'-Hexamethyl-biphenyl-3,3',5,5'-tetra-yltetra-methyl-ene tetra-acetate.

Project description:The title compound, C(30)H(38)O(8), possess C(i) symmetry, with the inversion center situated at the center of the bridging C-C bond. In the crystal structure, mol-ecules are held together by C-H⋯O inter-actions.

| S-EPMC2969695 | biostudies-literature

5,5',7,7'-Tetra-meth-oxy-2,2'-ethano-1,1'-spiro-biindane.

Project description:In the title compound, C(23)H(26)O(4), there is a dihedral angle of 83.7 (6)° between the two benzene rings. The five-membered rings have chair conformations.

| S-EPMC2960361 | biostudies-literature

{4,4',5,5'-Tetra-methyl-2,2'-[1,1'-(ethane-1,2-diyldinitrilo)diethyl-idyne]diphenolato}nickel(II)-methanol-chloro-form (1/1/1).

Project description:In the title compound, [Ni(C(22)H(26)N(2)O(2))]·CH(3)OH·CHCl(3), the Ni(II) ion is in a slightly distorted square-planar geometry involving an N(2)O(2) atom set of the tetra-dentate Schiff base ligand. The asymmetric unit contains one mol-ecule of the complex and one mol-ecule each of chloro-form and methanol. The methanol mol-ecule is hydrogen bonded to the phenolate O atoms. In the crystal structure, short inter-molecular distances between the centroids of six-membered chelate rings [3.7002?(9)?Å] indicate the presence of ?-? inter-actions, which link the mol-ecules into stacks along the a axis. In addition, there are Ni?Ni distances which are shorter than the sum of the van der Waals radii of two Ni atoms. The crystal structure is further stabilized by inter-molecular O-H?O and C-H?O hydrogen bonds, and weak inter-molecular C-H?? inter-actions linking mol-ecules into extended one-dimensional chains along the c axis.

| S-EPMC2960584 | biostudies-literature

Diammonium 1,1',3,3'-tetra-methyl-2,2',4,4',6,6'-hexa-oxoperhydro-5,5'-bipyrimidine-5,5'-diide monohydrate.

Project description:In the title hydrated salt, 2NH(4) (+)·C(12)H(12)N(4)O(6) (2-)·H(2)O, the two hexa-hydro-pyrimidine rings in the dianion are inclined to one another at a dihedral angle of 62.76?(5)°. In the crystal structure, the anions and water mol-ecules are linked into sheets parallel to the bc plane by inter-molecular O-H?O hydrogen bonds and sustained by C-H?O contacts. The linking of the anions and water mol-ecules with the cations by N-H?O hydrogen bonds creates a three-dimensional extended network. The crystal structure is further stabilized by very weak C-H?? inter-actions.

| S-EPMC2971361 | biostudies-literature

Tetra-aqua-(5,5'-dimethyl-2,2'-bipyridine-?N,N')zinc(II) sulfate.

Project description:The asymmetric unit of the title compound, [Zn(C(12)H(12)N(2))(H(2)O)(4)]SO(4), consists of a Zn(II) complex cation, a sulfate anion and four mol-ecules of water coordinated to the Zn(II) atom. The Zn(II) complex cation, with approximate twofold symmetry, displays a slightly distorted octa-hedral geometry around the Zn(II) atom, which is coordinated by two N atoms from a 5,5'-dimethyl-2,2'-bipyridine ligand and by the O atoms of four water mol-ecules. In the crystal, O-H?O hydrogen bonds help to establish the packing.

| S-EPMC2977444 | biostudies-literature

catena-Poly[[tetra-aqua-cobalt(II)]-μ-2,2'-dihydroxy-5,5'-diazenediyldibenzoato].

Project description:In the title compound, [Co(C(14)H(8)N(2)O(6))(H(2)O)(4)](n), each 5,5'-diazenediylbis(2-hydroxy-benzoato) ligand acts as a dicarboxyl-ate bridge, leading to the formation of polymeric chains running in the [10] direction. The Co atom is hexa-coordinated in a distorted octa-hedral geometry by six O atoms [Co-O = 2.039 (4)-2.115 (4) Å] from two ligands and four water mol-ecules. Inter-molecular O-H⋯O and O-H⋯N hydrogen bonds build up a three-dimensional supra-molecular structure.

| S-EPMC2960221 | biostudies-literature

Crystal structure of the di-Mannich base 4,4'-di-chloro-3,3',5,5'-tetra-methyl-2,2'-[imidazolidine-1,3-diylbis(methyl-ene)]diphenol.

Project description:The title compound, C21H26Cl2N2O2, was prepared in a solvent-free microwave-assisted synthesis, and crystallizes in the ortho-rhom-bic space group Pna21. The imidazolidine ring adopts an envelope conformation and its mean plane is almost perpendicular to the two pendant aromatic rings [dihedral angles = 84.61 (9) and 86.54 (9)°]. The mol-ecular structure shows the presence of two intra-molecular O-H⋯N hydrogen bonds between the phenolic hy-droxy groups and imidazolidine N atoms. The two 3-chloro-6-hy-droxy-2,4-di-methyl-benzyl groups are located in a cis orientation with respect to the imidazolidine fragment. As a result, the lone pairs of electrons on the N atoms are presumed to be disposed in a syn conformation. This is therefore the first example of an exception to the 'rabbit-ears' effect in such 2,2'-[imidazolidine-1,3-diylbis(methyl-ene)]diphenol derivatives.

| S-EPMC4350744 | 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