Browse
Submit Data
Databases
API
Help

Dataset Information

44 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of 4,4'-(ethane-1,2-di-yl)bis-(2,6-di-bromo-aniline).

ABSTRACT: In the title compound, C14H12Br4N2, the mol-ecule lies across an inversion center and hence the benzene rings are strictly coplanar. In the crystal, mol-ecules are linked by N-H⋯N and weak N-H⋯Br hydrogen bonds, forming a two-dimensional network parallel to (101). In addition, type II Br⋯Br inter-actions [3.625 (4) Å] complete a three-dimensional supra-molecular network.

SUBMITTER: Hauptvogel I

PROVIDER: S-EPMC4331912 | biostudies-literature | 2015 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Crystal structure of 4,4'-(ethane-1,2-di-yl)bis-(2,6-di-bromo-aniline).

Hauptvogel Ines I Seichter Wilhelm W Weber Edwin E

Acta crystallographica. Section E, Crystallographic communications 20150101 Pt 1

In the title compound, C14H12Br4N2, the mol-ecule lies across an inversion center and hence the benzene rings are strictly coplanar. In the crystal, mol-ecules are linked by N-H⋯N and weak N-H⋯Br hydrogen bonds, forming a two-dimensional network parallel to (101). In addition, type II Br⋯Br inter-actions [3.625 (4) Å] complete a three-dimensional supra-molecular network. ...[more]

PMID: 25705462

Similar Datasets

Isotypic crystal structures of 2,6-di-bromo-N,N-bis-(4-nitro-phen-yl)aniline and 2,6-di-chloro-N,N-bis-(4-nitro-phen-yl)aniline.

Project description:In the mol-ecules of the two isotypic title compounds, C18H11Br2N3O4 (I) and C18H11Cl2N3O4 (II), the tri-phenyl-amine N atoms show no sign of pyramidalization, with marginal displacements of the N atoms from the mean plane of the three connecting C atoms: 0.0058 (13) Å for the Br compound (I) and 0.0074 (9) Å for the Cl compound (II). In the crystals, mol-ecules are linked through C-H⋯O hydrogen bonds between phenyl rings and nitro groups and by X⋯O (X = Br, Cl) inter-actions, that are shorter than the sum of the van der Waals radii, leading to a three-dimensional network.

| S-EPMC4158496 | biostudies-literature

Crystal structure of (E)-1,2-bis-(4-bromo-2,6-di-fluoro-phen-yl)diazene.

Project description:In the crystal, mol-ecules of the centrosymmetric title compound, C12H4Br2F4N2, are linked into strands along [011] by weak C-H⋯F contacts. Furthermore, the mol-ecules are π-π stacked with perpendicular ring distances of 3.4530 (9) Å.

| S-EPMC4518941 | biostudies-literature

Crystal structure of 1,2-bis-(3,5-di-fluoro-phen-yl)ethane-1,2-dione.

Project description:The title compound, C14H6F4O2, crystallizes with half of a mol-ecule per asymmetric unit and exhibits bond lengths and angles typical of α-diketones. A network of C-H⋯F contacts and π-π stacking inter-actions is observed within the structure.

| S-EPMC8382065 | biostudies-literature

2,2'-(Ethane-1,2-di-yl)bis-(1H-benzimidazole).

Project description:The complete mol-ecule of the title compound, C(16)H(14)N(4), is generated by crystallographic inversion symmetry. In the crystal, mol-ecules are linked by N-H?N hydrogen bonds, generating (001) sheets. Weak aromatic ?-? stacking inter-actions [centroid-centroid distances = 3.7383?(13) and 3.7935?(14)?Å] are also observed.

| S-EPMC3344460 | biostudies-other

Synthesis and crystal structures of 4,4'-methyl-enebis(2,6-di-ethyl-aniline) and 4,4'-methyl-enebis(3-chloro-2,6-di-ethyl-aniline).

Project description:The title compounds 4,4'-methyl-enebis(2,6-di-ethyl-aniline) (C21H30N2, 1) and 4,4'-methyl-enebis(3-chloro-2,6-di-ethyl-aniline) (C21H28Cl2N2, 2) are of significant inter-est as curing agents for a wide range of resins and as building blocks for sterically demanding compounds in the synthesis of ligands for catalysis. This paper describes their synthesis and the preparation of single crystals, with their structures determined through single-crystal X-ray analysis. The presence of the chlorine substituent slightly affects the twist angle between the two aromatic components. The mol-ecules of compound 1 form a network structure through inter-molecular N-H⋯N bonds and C-H⋯π inter-actions, while in the crystal structure of compound 2, the mol-ecules are assembled solely through N-H⋯π inter-actions. Consequently, despite their chemical similarity, it is the precise structural data that enables us to explain their differing reactivity and opens up the possibility of evaluating steric properties for the development of new materials and ligands.

| S-EPMC11799795 | biostudies-literature

1,2-Bis(di-2-pyridylphosphino-yl)ethane.

Project description:The crystal structure of the title compound, C(22)H(20)N(4)O(2)P(2), consists of two independent half-mol-ecules, both of which lie on crystallographic inversion centres. There are no significant differences between the two mol-ecules.

| S-EPMC2968607 | biostudies-literature

Crystal structure of N,N'-[(ethane-1,2-di-yl)bis-(aza-nediylcarbono-thio-yl)]bis-(benzamide).

Project description:The reaction of benzoyl chloride and ethyl-endi-amine in the presence of potassium thio-cyanate yielded a white solid, C18H18N4O2S2, which consists of two benzoyl-thio-ureido moieties connected by an ethyl-ene chain. The asymmetric unit consists of one half of the mol-ecule, the complete mol-ecule being generated by crystallographic inversion symmetry. Both thio-urea moieties are in a trans conformation. An intra-molecular N-H⋯O hydrogen bond occurs. In the crystal, C-H⋯S and C-H⋯O hydrogen bonds link the molecules, forming layers parallel to the ac plane.

| S-EPMC6505593 | biostudies-literature

1,1'-(Ethane-1,2-di-yl)bis-(1,4,7-triazonane).

Project description:In the centrosymmetric title compound (dtne), C(14)H(32)N(6), two 1,4,7-triaza-cyclo-nonane (tacn, or 1,4,7-triazonane) moieties are linked together each at an amino position by a single ethyl-ene spacer. The mol-ecular packing is supported by pairs of inter-molecular N-H⋯N hydrogen bonds, which form R(2) (2)(22) ring motifs and link the mol-ecules into infinite chains running parallel to the a axis.

| S-EPMC2979561 | biostudies-literature

1,1'-(Ethane-1,2-di-yl)dipyridinium bis-(iodate).

Project description:The title salt, C(12)H(14)N(2) (2+)·2IO(3) (-), exhibits two crystallographically independent iodate anions, the I atoms of which are each in a trigonal-pyramidal environment. In the dication, the two pyridine rings adopt an anti conformation with respect to each other; the angle between these two rings is 3.84 (19)°. In the crystal structure, C-H⋯O hydrogen bonds between the cations and anions lead to the formation of layers arranged parallel to the ab plane. I⋯O halogen bonds [R(2) (2)(4) graph-set motif] range between 2.873 (2) and 3.036 (3) Å and connect neighbouring IO(3) (-) anions with each other along [100], so as to create a three-dimensional network.

| S-EPMC3151914 | biostudies-literature

Crystal structure of 1,2-bis-(2,6-di-methyl-phen-yl)-3-phenyl-guanidine.

Project description:In the title compound, C23H25N3, the dihedral angles between the planes of the benzene ring and the two substituent di-methyl-phenyl rings are 60.94 (7)° and 88.08 (7)°, and the dihedral angle between the planes of the two di-methyl-phenyl rings is 58.01 (7)°. In the crystal, weak C-H⋯N inter-actions exist between adjacent mol-ecules. One of the di-methyl-phenyl rings has a small amount of π-π overlap with the phenyl ring of an adjacent mol-ecule [centroid-to-centroid distance = 3.9631 (12) Å].

| S-EPMC4518950 | 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