Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Diiodidobis[4-(4-nitro-benz-yl)pyridine-?N]zinc.

ABSTRACT: The asymmetric unit of the title compound, [ZnI(2)(C(12)H(10)N(2)O(2))(2)], obtained from the reaction of 4-(4-nitro-benz-yl)pyridine with zinc(II) iodide, contains two independent discrete distorted tetra-hedral complex units [Zn-I = 2.5472?(8)-2.5666?(7)?Å and Zn-N = 2.044?(4)-2.052?(4)?Å], which are essentially identical conformationally. The crystal used for measurement was a racemic twin.

SUBMITTER: Smith G

PROVIDER: S-EPMC3052165 | biostudies-literature | 2011

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Diiodidobis[4-(4-nitro-benz-yl)pyridine-κN]zinc.

Smith Graham G Wermuth Urs D UD Williams Michael L ML

Acta crystallographica. Section E, Structure reports online 20110223 Pt 3

The asymmetric unit of the title compound, [ZnI(2)(C(12)H(10)N(2)O(2))(2)], obtained from the reaction of 4-(4-nitro-benz-yl)pyridine with zinc(II) iodide, contains two independent discrete distorted tetra-hedral complex units [Zn-I = 2.5472 (8)-2.5666 (7) Å and Zn-N = 2.044 (4)-2.052 (4) Å], which are essentially identical conformationally. The crystal used for measurement was a racemic twin. ...[more]

PMID: 21522285

Similar Datasets

4-(4-Nitro-benz-yl)pyridine.

Project description:The title compound, C12H10N2O2, has a twisted conformation, with a dihedral angle between the planes of the pyridine and benzene rings of 78.4?(2)°. The nitro group is coplanar with the attached benzene ring within experimental error. The mol-ecules form centrosymmetric dimers via Car-H?O inter-actions (H?O = 2.49?Å) and the dimers are ?-stacked along the b axis [the separation between ring centroids is 3.788?(2)?Å].

| S-EPMC3770423 | biostudies-literature

N-(4-Fluoro-benz-yl)-3-nitro-pyridine-2,6-diamine.

Project description:In the title compound, C(12)H(11)FN(4)O(2), the pyridine ring is connected to a benzene ring by a -CH(2)-NH(2)- chain. The nitro group is twisted out of the pyridine ring plane [torsion angle O-N-C-C = 10.41?(10)°]. An intramolecular N-H?O hydrogen bond occurs. The fluoro-benzene ring is disordered over two positions [occupancy ratio = 0.59?(3):0.41?(3)]. Inter-molecular N-H?O and N-H?N hydrogen bonds stabilize the crystal structure.

| S-EPMC3120364 | biostudies-literature

Diiodidobis{4-[2-(2-methyl-phen-yl)ethen-yl]pyridine-?N}cadmium.

Project description:In the title complex, [CdI(2)(C(14)H(13)N)(2)], the Cd atom lies on a twofold rotation axis that relates the I atom and the 4-(2-methyl-styr-yl)pyridine ligand to their counterparts. Therefore the asymmetric unit contains one crystallographically independent half-mol-ecule. The Cd atom adopts a tetra-hedral coordination geometry, coordinated by two I atoms and two N atoms from the symmetry-related 4-(2-methyl-styr-yl)pyridine ligands.

| S-EPMC3201305 | biostudies-literature

Dibromido{2-[(4-nitro-phen-yl)imino-meth-yl]pyridine-κN,N'}zinc(II).

Project description:In the title compound, [ZnBr(2)(C(12)H(9)N(3)O(2))], the Zn(II) ion is bonded to two Br ions and two N atoms of the diimine ligand in a distorted tetra-hedral geometry. With the exception of the Br atoms, all other atoms are disordered over two sets of sites corresponding to a 180° rotation of the mol-ecule along [[Formula: see text]02]. The refined occupancies of the components are 0.809 (2) and 0.191 (2). In addition, the crystal studied was a non-merohedral twin with a refined component ratio of 0.343 (2):0.657 (2).

| S-EPMC3246977 | biostudies-literature

4-(4-Nitro-benz-yl)morpholine.

Project description:In the title compound, C(11)H(14)N(2)O(3), an inter-molecular inter-action between a nitro group O atom and a neighboring benzene ring helps to stabilize the crystal structure [N⋯centroid = 3.933 (2) Å]. No classical hydrogen bonds are observed in the crystal packing.

| S-EPMC3099983 | biostudies-literature

4-(4-Nitro-benz-yl)pyridinium 5-nitro-salicylate.

Project description:In the title salt, C(12)H(11)N(2)O(2) (+)·C(7)H(4)NO(5) (-), the cations and anions inter-act through asymmetric cyclic pyridinium-carboxyl-ate N-H?O,O' hydrogen-bonding associations [graph set R(1) (2)(4)], giving discrete heterodimers having weak cation-anion ?-? aromatic ring inter-actions [minimum ring centroid separation = 3.7116?(9)?Å].

| S-EPMC2979186 | biostudies-literature

Aqua-(4-nitro-phthalato)bis-[2-(1H-pyrazol-3-yl)pyridine]-zinc(II) hemihydrate.

Project description:In the title compound, [Zn(C(8)H(3)NO(6))(C(8)H(7)N(3))(2)(H(2)O)]·0.5H(2)O, the Zn(II) atom shows a distorted octa-hedral ZnN(4)O(2) coordination environment and is bonded to two 3-(2-pyrid-yl)-1H-pyrazole ligands via the N atoms, one monodentate 4-nitro-phthalate ligand and one associated water mol-ecule. Additionally, one water of crystallization, with a site-occupation factor of 0.5, is present. The two 3-(2-pyrid-yl)-1H-pyrazole ligands are planar [r.m.s. deviations = 0.03?(1) and 0.35?(1)?Å] and the dihedral angle between the two planar 3-(2-pyrid-yl)-1H-pyrazole ligands is 67.31?(4)°. Inter-molecular ?-? stacking inter-actions between 3-(2-pyrid-yl)-1H-pyrazole ligands with a face-to-face separation of 3.64?(1)?Å are observed. Moreover, the crystal structure is stabilized by O-H?O and N-H?O hydrogen bonds between the water of crystallization, the associated water mol-ecule and the 3-(2-pyrid-yl)-1H-pyrazole ligands.

| S-EPMC3050407 | biostudies-literature

5-(4-Nitro-benz-yl)-1H-1,2,3,4-tetra-zole.

Project description:In the title compound, C(8)H(7)N(5)O(2), the dihedral angle between the benzene and tetra-zole rings is 63.13?(8)°. The crystal structure exhibits inter-molecular N-H?N hydrogen bonds which lead to the formation of one-dimensional chains along the [010] direction.

| S-EPMC3009168 | biostudies-literature

1-(2-Nitro-benz-yl)-1H-pyrrole-2-carbaldehyde.

Project description:In the title compound, C(12)H(10)N(2)O(3), the five- and six-membered rings form a dihedral angle of 83.96?(6)°. The nitro group is twisted by 5.92?(8)° from the plane of the attached benzene ring. In the crystal, weak inter-molecular C-H?O hydrogen bonds link the mol-ecules into columns in the [100] direction, with a short distance of 3.725?(3)?Å between the centroids of benzene rings inside these columns.

| S-EPMC3120449 | biostudies-literature

3-(4-Nitro-benz-yl)-4H-chromen-4-one.

Project description:In the title compound, C16H11NO4, the dihedral angle between the ten-membered chromen-4-one ring system (r.m.s. deviation = 0.0095?Å) and the benzene ring is 86.16?(5)°. In the crystal, mol-ecules are linked into a three-dimensional network by weak C-H?O hydrogen bonds. The crystal studied was a non-merohedral twin, with the minor twin component refining to 0.093?(1).

| S-EPMC3629541 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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