Browse
Submit Data
Databases
API
Help

Dataset Information

4 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of bis-(1,3-di-amino-propane-?(2) N,N')bis-[2-(4-nitro-phen-yl)acetato-?O]zinc(II).

ABSTRACT: In the structure of the title compound, [Zn(C8H6NO4)2(C3H10N2)2], the Zn(II) atom is located on a center of symmetry with one independent Zn-O distance of 2.199?(2)?Å, and two Zn-N distances of 2.157?(2) and 2.144?(2)?Å. The overall coordination geometry around the Zn(II) atom is octa-hedral. Several types of hydrogen-bonding inter-actions are evident. Both intra-molecular [2.959?(3)?Å] and inter-molecular [3.118?(3) and 3.124?(3)?Å inter-actions occur between the O atoms of the acetate group and the amino N atoms, and weak inter-molecular C-H-O inter-actions involving the nitro groups, leading to an extended chain of the molecules aligned along the ac plane.

SUBMITTER: Roberts TJ

PROVIDER: S-EPMC4719853 | biostudies-other | 2015 Dec

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Crystal structure of bis-(1,3-di-amino-propane-κ(2) N,N')bis-[2-(4-nitro-phen-yl)acetato-κO]zinc(II).

Roberts T J TJ Mehari T F TF Assefa Z Z Hamby T T Sykora R E RE

Acta crystallographica. Section E, Crystallographic communications 20151206 Pt 12

In the structure of the title compound, [Zn(C8H6NO4)2(C3H10N2)2], the Zn(II) atom is located on a center of symmetry with one independent Zn-O distance of 2.199 (2) Å, and two Zn-N distances of 2.157 (2) and 2.144 (2) Å. The overall coordination geometry around the Zn(II) atom is octa-hedral. Several types of hydrogen-bonding inter-actions are evident. Both intra-molecular [2.959 (3) Å] and inter-molecular [3.118 (3) and 3.124 (3) Å inter-actions occur between the O atoms of the acetate group an ...[more]

PMID: 26870444

Similar Datasets

Crystal structure of bis-(1,3-di-amino-propane-κ(2) N,N')bis-[2-(4-nitro-phen-yl)acetato-κO]cadmium.

Project description:In the structure of the title compound, [Cd(C8H6NO4)2(C3H10N2)2], the Cd(II) atom is located on a center of symmetry with one independent Cd-O distance of 2.3547 (17) Å and two Cd-N distances of 2.3265 (18) and 2.3449 (19) Å. The Cd(II) atom has an overall octa-hedral coordination environment. Several types of hydrogen-bonding inter-actions are evident. Both intra- and inter-molecular inter-actions occur between the amino groups and the O atoms of the acetate group. These N-H⋯O hydrogen bonds lead to a layered structure extending parallel to the bc plane. In addition, weak inter-molecular C-H⋯O inter-actions involving the nitro groups exist, leading to the formation of a three-dimensional network structure.

| S-EPMC4770970 | biostudies-literature

Crystal structure of di-?-acetato-di-acetatobis-(?-6,6'-dimeth-oxy-2,2'-{[(propane-1,3-diylbis(aza-nylyl-idene)]bis-(methanylyl-idene)}diphenolato)tetra-zinc.

Project description:The tetra-nuclear title complex, [Zn4(C19H20N2O4)2(CH3COO)4], is formed from two dinuclear motifs related by an inversion centre. The two crystallographically independent Zn(II) ions in the asymmetric unit are in different coordination environments. One is square-based pyramidal with one O atom of an acetate group occupying the axial position and two N and O atoms of one bmspd [H2bmspd = N,N'-bis-(3-meth-oxy-salicyl-idene)propyl-ene-1,3-di-amine] Schiff base ligand forming the basal plane. The other Zn(II) atom is six-coordinated by four O atoms of the bmspd ligand forming the equatoral plane and two O atoms of different acetate groups located in the axial positions. As a result, the two phenolic planes of the bicompartmental Schiff base ligand are distorted slightly. However, the planes of the two Schiff base ligands are parallel. In addition, the Zn-N and Zn-O bond lengths span the reasonable ranges 2.062?(2)-2.073?(2) and 1.9261?(15)-2.4356?(16)?Å, respectively. The Zn?Zn distances separated by phenolic O atoms are 3.2466?(4)?Å while the Zn?Zn distances bridged by acetate groups are 5.9835?(6)?Å. The tetra-nuclear moieties are connected by van der Waals interactions, and form a chain along c axis.

| S-EPMC4719841 | biostudies-other

{[2-Methyl-2-(phen-oxy-meth-yl)propane-1,3-di-yl]bis-(-oxy)}di-benzene.

Project description:The title compound, C23H24O3, was obtained in a one-step (60% yield) synthesis from 1,1,1-tris(hydroxymethyl)ethane. It features a tripodal ligand capable of complexing metal centres. One of the three conformations involving the methyl group, the central C-C bond and the phenoxy substituents is antiperiplanar while the two others are synclinal [the corresponding C-C-C-O torsion angles are -174.6?(1), -53.2?(2) and -47.3?(2)°]. In the crystal, C-H?O inter-actions link the molecules into [010] chains.

| S-EPMC4011283 | biostudies-literature

catena-Poly[[[diaqua-cobalt(II)]bis-(?-1,3-di-4-pyridylpropane-?N:N')] bis-(perchlorate) bis-(1,3-di-4-pyridyl-propane) bis-(2-methyl-4-nitro-aniline)].

Project description:In the title compound, {[Co(C(13)H(14)N(2))(2)(H(2)O)(2)](ClO(4))(2)·2C(13)H(14)N(2)·2C(7)H(8)N(2)O(2)}(n), the Co(II) ion lies on a crystallographic inversion center and is coordinated by four N atoms from four symmetry-related 1,3-di-4-pyridylpropane ligands and two O atoms from two water ligands in a slightly distorted octa-hedral coordination environment. The 1,3-di-4-pyridylpropane ligands are doubly bridging and connect the Co(II) ions into one-dimensional chains. The asymmetric unit also contains one uncoordinated 1,3-di-4-pyridylpropane mol-ecule, one 2-methyl-4-nitro-aniline mol-ecule and one perchlorate anion. In the crystal structure, inter-molecular O-H?N hydrogen bonds connect the one-dimensional chains into a two-dimensional network.

| S-EPMC2960494 | biostudies-literature

Crystal structure of 2-(3-nitro-phen-yl)-1,3-di-thiane.

Project description:In the title compound, C10H11NO2S2, the 1,3-di-thiane ring has a chair conformation with the 1,4-disposed C atoms being above and below the remaining four atoms. The nitro-benzene substituent occupies an equatorial position and forms a dihedral angle of 88.28?(5)° with the least-squares plane through the 1,3-di-thiane ring. The nitro group is twisted out of the plane of the benzene ring to which it is connected, forming a dihedral angle of 10.12?(3)°. In the crystal, mol-ecules aggregate into supra-molecular zigzag chains (glide symmetry along the c axis) via nitro-benzene N-O?? [N-O?Cg(benzene) = 3.4279?(18)?Å and angle at O = 93.95?(11)°] inter-actions. The chains pack with no specific inter-molecular inter-actions between them.

| S-EPMC4350730 | biostudies-literature

1,3-Bis[(4-nitro-benzyl-idene)amino-oxy]propane.

Project description:The complete molecule of title compound, C(17)H(16)N(4)O(6), is generated by a crystallographic twofold axis. Within the mol-ecule, the two benzene units are approximately perpen-dicular, making a dihedral angle of 85.91?(4)°. In the crystal, mol-ecules are linked into a three-dimensional network by C-H?O hydrogen bonds and short O?O and N?O inter-actions, with distances of 2.998?(2) and 2.968?(3)?Å, respectively.

| S-EPMC2969883 | biostudies-other

Crystal structure of bis-(propane-1,3-di-ammonium) hexa-fluorido-aluminate fluoride trihydrate.

Project description:The title compound, (C3H10N2)2[AlF6]F·3H2O, was obtained using the solvothermal method with aluminium hydroxide, HF and propane-1,3-di-amine as precursors in ethanol as solvent. The structure consists of isolated [AlF6](3-) octa-hedra, diprotonated propane-1,3-di-amine cations [(H2dap)(2+)], free fluoride ions and water mol-ecules of solvation. The Al-F bond lengths in the octa-hedral [AlF6](3-) anions range from 1.7690?(19) to 1.8130?(19)?Å, with an average value of 1.794?Å. Each [AlF6](3-) anion is surrounded by three water mol-ecules and by six diprotonated amine cations. The 'free' fluoride ion is hydrogen bonded to four H atoms belonging to four dications and has a distorted tetra-hedral geometry. The three water mol-ecules are connected by hydrogen bonds, forming trimers that connect the AlF6 octa-hedra and dications into a three-dimensional framework.

| S-EPMC4186155 | biostudies-literature

Bis[?-1,3-bis-(1H-imidazol-1-yl)propane-?(2) N (3):N (3')]bis-(di-chlorido-zinc) dihydrate.

Project description:The title hydrated complex, [Zn2Cl4(C9H12N4)2]·2H2O, is a discrete dinuclear zinc complex with 1,3-bis-(1H-imidazol-1-yl)propane as the bridging ligand. The complex mol-ecule lies about a crystallographic inversion centre. The Zn(II) atom exhibits a distorted tetra-hedral coordination geometry defined by two imidazole N atoms and two Cl atoms. O-H?Cl hydrogen bonding between the lattice water mol-ecules and the terminal Cl atoms of the mol-ecule lead to a two-dimensional structure extending parallel to (100).

| S-EPMC4011251 | biostudies-literature

2,2'-(Propane-1,3-di-yl)bis-(2H-indazole).

Project description:The title mol-ecule, C(17)H(16)N(4), is a bis-indazole crystallized in the rare 2H-tautomeric form. Indazole heterocycles are connected by a propane C(3) chain, and the mol-ecule is placed on a general position, in contrast to the analogous compound with a central C(2) ethane bridge, which was previously found to be placed on an inversion center in the same space group. In the title mol-ecule, indazole rings make a dihedral angle of 60.11?(7)°, and the bridging alkyl chain displays a trans conformation, resulting in a W-shaped mol-ecule. In the crystal, mol-ecules inter-act weakly through ?-? contacts between inversion-related pyrazole rings, with a centroid-centroid separation of 3.746?(2)?Å.

| S-EPMC3213583 | biostudies-literature

5,5'-Bis(diethyl-amino)-2,2'-[2,2-di-methyl-propane-1,3-diylbis-(nitrilo-methylidyne)]diphenol.

Project description:The asymmetric unit of the title compound, C(27)H(40)N(4)O(2), comprises one mol-ecule of a potentially tetra-dentate Schiff base ligand. The dihedral angle between the two phenyl rings is 67.13?(10)°. Strong intra-molecular O-H?N hydrogen bonds generate S(6) ring motifs. One terminal methyl among the four diethyl-amino groups is disordered over two positions with the refined site occupancy ratio of 0.660?(7)/0.340?(7).

| S-EPMC3008013 | 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