Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of di-chlorido-bis-(4-ethyl-aniline-?N)zinc.

ABSTRACT: The title compound, [ZnCl2(C8H11N)2], was synthesized by the reaction of zinc dichloride and 4-ethyl-aniline. The Zn(2+) cation is coordinated by two Cl(-) anions and the N atoms of two 4-ethyl-aniline ligands, forming a distorted Zn(N2Cl2) tetra-hedron. The dihedral angle between the two benzene rings is 85.3?(2)° The Zn atom lies on a twofold rotation axis. The ethyl substituents are disordered over two sets of sites in a 0.74?(2):0.26?(2) ratio. In the crystal, N-H?Cl hydrogen bonds link the mol-ecules into sheets perpendicular to the a axis. C-H?Cl inter-actions also occur.

SUBMITTER: Govindaraj J

PROVIDER: S-EPMC4384566 | biostudies-literature | 2015 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Crystal structure of di-chlorido-bis-(4-ethyl-aniline-κN)zinc.

Govindaraj J J Thirumurugan S S Reddy D Snehalatha DS Anbalagan K K SubbiahPandi A A

Acta crystallographica. Section E, Crystallographic communications 20150114 Pt 2

The title compound, [ZnCl2(C8H11N)2], was synthesized by the reaction of zinc dichloride and 4-ethyl-aniline. The Zn(2+) cation is coordinated by two Cl(-) anions and the N atoms of two 4-ethyl-aniline ligands, forming a distorted Zn(N2Cl2) tetra-hedron. The dihedral angle between the two benzene rings is 85.3 (2)° The Zn atom lies on a twofold rotation axis. The ethyl substituents are disordered over two sets of sites in a 0.74 (2):0.26 (2) ratio. In the crystal, N-H⋯Cl hydrogen bonds link the ...[more]

PMID: 25878835

Similar Datasets

Crystal structure of di-chlorido-bis-(dimethyl N-cyano-dithio-imino-carbonate)zinc.

Project description:The Zn(II) atom in the title complex, [ZnCl2(C4H6N2S2)2], is coordinated in a distorted tetra-hedral manner by two Cl atoms and two terminal N atoms of two dimethyl N-cyano-dithio-imino-carbonate ligands. In the crystal, the complex mol-ecules are connected through C-H⋯Cl hydrogen bonds and Cl⋯S contacts, leading to a two-dimensional structure extending parallel to the ab plane.

| S-EPMC4778821 | biostudies-literature

Crystal structure of the thermochromic bis-(di-ethyl-ammonium) tetra-chlorido-cuprate(II) complex.

Project description:In the structure of the title complex salt, (Et2NH2)2[CuCl4], the asymmetric unit consists of four unique di-ethyl-ammonium cations and three unique tetra-chlorido-cuprate anions. Two of the three anions are located with their copper atoms on independent crystallographic twofold axes, while the remaining tetra-chlorido-cuprate is located at a general position of the ortho-rhom-bic space group P21212. Two of the three Cu atoms adopt a distorted square-planar/disphenoidal geometry and the third Cu atom has a regular square-planar coordination environment. The di-ethyl-ammonium cations form an extensive hydrogen-bonded network through N-H⋯Cl inter-actions with the tetra-chlorido-cuprate anions, resulting in a two-dimensional sheet-like hydrogen-bonded network parallel to the ab direction. The complex was observed to undergo a color shift from deep green at room temperature to pale yellow at temperatures above 328 K.

| S-EPMC4704760 | biostudies-literature

Crystal structure of di-chlorido-bis-[2-(phenyl-diazen-yl)pyridine-?N (1)]zinc.

Project description:The structure of the title complex, [ZnCl2(C11H9N3)2], comprises two 2-(phenyl-diazen-yl)pyridine ligands coordin-ating to a central Zn(II) dichloride unit via the pyridyl N-atom donors, resulting in a slightly distorted tetra-hedral geometry. The complex exhibits twofold rotation symmetry, with the rotation axis bis-ecting the zinc cation. The structure is stabilized by weak inter-molecular C-H?Cl inter-actions [C?Cl = 3.411?(2) and 3.675?(2)?Å], connecting neighbouring mol-ecules into layers perpendicular to the c axis.

| S-EPMC4645076 | biostudies-literature

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

Project description: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.

| S-EPMC4331912 | biostudies-literature

Crystal structure of di-ethyl-ammonium aniline-4-sulfonate anilinium-4-sulfonate.

Project description:The title compound, C4H12N+·C6H6NO3S-·C6H7NO3S, consists of an ion pair and a zwitterionic neutral mol-ecule. The cation adopts an extended conformation [C-C-N-C torsion angles = 177.1?(3) and -178.4?(3)°]. In the crystal, the components are linked by N-H?O and N-H?N hydrogen bonds, generating a three-dimensional network, which is consolidated by weak C-H?O inter-actions.

| S-EPMC5137620 | biostudies-literature

Crystal structure of di-chlorido-bis-(1,3-diisopropyl-4,5-dimethyl-2H-imidazole-2-thione-?S)zinc(II).

Project description:The mol-ecular structure of the title compound, [ZnCl2(C11H20N2S)2], shows tetra-hedral Zn coordination from two Cl ligands and two thione groups. The Zn-Cl bond lengths differ sligthly at 2.2310?(10) and 2.2396?(11)?Å while the Zn-S bond lengths are equal at 2.3663?(9) and 2.3701?(10)?Å. The Cl-Zn-Cl angle is 116.04?(4) and S-Zn-S is 101.98?(3)°. All other angles at the central Zn atom range from 108.108?(3) to 110.21?(4)°. The C-S-Zn angles are 100.75?(10) and 103.68?(11)°, the difference most probably resulting from packing effects, as both the C-S and both the S-Zn bonds are equal in each case. The two imidazole ring planes make a dihedral angle of 67.9?(1)°. The CH3 groups of one isopropyl moiety are disordered over two sets of sites with occupation factors of 0.567?(15) and 0.433?(15). It may be noteworthy that the isomolecular Cu complex shows a different crystal packing (group-subgroup relation) with the Cu atom lying on a twofold rotation axis. In the crystal, the shortest non-bonding contact is a C-H?Cl inter-action. This leads to the formation of centrosymmetric dimers that are stacked along the c-axis.

| S-EPMC4257301 | biostudies-literature

Crystal structure of di-μ-chlorido-bis-[di-chlorido(l-histidinium-κ<i>O</i>)cadmium(II)].

Project description:In the title compound, [Cd2(C6H9N3O2)2Cl6], the coordination polyhedra around the CdII cations are distorted trigonal bipyramids. Two of the chloride ions (one axial and one equatorial) are bridging to the other metal atom, leading to a Cd⋯Cd separation of 3.9162 (4) Å. The O atom of the l-histidinium cation lies in an axial site. In the crystal, numerous N-H⋯Cl, N-H⋯O, C-H⋯O and C-H⋯Cl hydrogen bonds link the mol-ecules into a three-dimensional network. Theoretical calculations and spectroscopic data are available as supporting information.

| S-EPMC6658965 | biostudies-literature

Crystal structure, Hirshfeld surface analysis and physicochemical characterization of bis-[4-(di-methyl-amino)-pyridinium] di-μ-chlorido-bis[di-chlorido-mercurate(II)].

Project description:The title mol-ecular salt, (C7H11N2)2[Hg2Cl6], crystallizes with two 4-(di-methyl-amino)-pyridinium cations (A and B) and two half hexa-chlorido-dimercurate(II) anions in the asymmetric unit. The organic cations exhibit essentially the same features with an almost planar pyridyl ring (r.m.s. deviations of 0.0028 and 0.0109 Å), which forms an inclined dihedral angle with the dimethyamino group [3.06 (1) and 1.61 (1)°, respectively]. The di-methyl-amino groups in the two cations are planar, and the C-N bond lengths are shorter than that in 4-(di-methyl-amino)-pyridine. In the crystal, mixed cation-anion layers lying parallel to the (010) plane are formed through N-H⋯Cl hydrogen bonds and adjacent layers are linked by C-H⋯Cl hydrogen bonds, forming a three-dimensional network. The analyses of the calculated Hirshfeld surfaces confirm the relevance of the above inter-molecular inter-actions, but also serve to further differentiate the weaker inter-molecular inter-actions formed by the organic cations and inorganic anions, such as π-π and Cl⋯Cl inter-actions. The powder XRD data confirms the phase purity of the crystalline sample. Furthermore, the vibrational absorption bands were identified by IR spectroscopy and the optical properties were studied by using optical UV-visible absorption spectroscopy.

| S-EPMC6829733 | biostudies-literature

Crystal structure of di-chlorido-bis-(methyl isonicotinate-κN)copper(II).

Project description:In the title compound, [CuCl2(C7H7NO2)2], the square-planar-coordinated Cu(II) ion lies on a centre of symmetry and is bonded to two monodentate methyl-isonicotinate ligands through their N atoms and by two chloride ligands. The mol-ecules pack in a herringbone pattern. Perpendicular to [100] there are weak inter-molecular C-H⋯Cl and C-H⋯O contacts. Along [100] there are infinite chains of edge-sharing octa-hedra linked through the chlorido ligands.

| S-EPMC4420097 | biostudies-literature

catena-Poly[[bis-(1-ethyl-1H-imidazole-?N)cadmium]-di-?-chlorido-[(1-ethyl-1H-imidazole-?N)cadmium]-di-?-chlorido-[(1-ethyl-1H-imidazole-?N)cadmium]-di-?-chlorido-[bis-(1-ethyl-1H-imidazole-?N)cadmium]].

Project description:The asymmetric unit of the crystal structure of the title compound, [Cd(2)Cl(4)(C(5)H(8)N(2))(3)](n), contains two Cd(II) cations, three 1-ethyl-1H-imidazole ligands, and four Cl(-) anions. The two Cd(II) atoms have quite different coordination environments: one is octa-hedrally coordinated by four Cl atoms and two N atoms from two 1-ethyl-1H-imidazole ligands, and the second is in a severely distorted fivefold coordination by four Cl atoms and one N atom from a 1-ethyl-1H-imidazole ligand. Adjacent Cd(II) cations are inter-connected alternately by pairs of chloride bridges, generating an infinite step-like chain along the a axis. One ethyl group of the 1-ethyl-1H-imidazole ligand is disordered over two sets of sites with a 0.668?(13):0.332?(13) site-occupancy ratio.

| S-EPMC3238745 | 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