Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Poly[[?-bis-(4-nitro-phen-yl) phosphato-?(2) O,O']sodium].

ABSTRACT: The title compound, [Na(C12H8N2O8P)], consists of one Na(+) cation and one bis-(p-nitro-phen-yl)phosphate anion with a considerable distortion of the phosphate tetra-hedron due to the presence of two P-O ester bonds. The anion bridges five Na(+) cations whereby each cation is chelated by the nitro O atoms of one anion and bonded via a nitro O atom and phosphate O atoms to four other anions. This bridging arrangement leads to the formation of double layers parallel to (001). Adjacent layers are linked through weak C-H?O hydrogen bonds.

SUBMITTER: Gerus A

PROVIDER: S-EPMC3793696 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Poly[[μ-bis-(4-nitro-phen-yl) phosphato-κ(2) O,O']sodium].

Gerus Aleksandra A Lis Tadeusz T

Acta crystallographica. Section E, Structure reports online 20130720 Pt 8

The title compound, [Na(C12H8N2O8P)], consists of one Na(+) cation and one bis-(p-nitro-phen-yl)phosphate anion with a considerable distortion of the phosphate tetra-hedron due to the presence of two P-O ester bonds. The anion bridges five Na(+) cations whereby each cation is chelated by the nitro O atoms of one anion and bonded via a nitro O atom and phosphate O atoms to four other anions. This bridging arrangement leads to the formation of double layers parallel to (001). Adjacent layers are l ...[more]

PMID: 24109283

Similar Datasets

catena-Poly[[[O,O'-bis-(2-methyl-phen-yl) dithio-phosphato-?(2) S,S]lead(II)]-?-O,O'-bis-(2-methyl-phen-yl) dithio-phosphato-?(3) S,S':S].

Project description:In the title compound, [Pb(C14H14O2PS2)2] n , the metal atom is surrounded by two O,O'-bis-(2-methyl-phen-yl) dithio-phosphate ligands bonding through the S-donor atoms. Three of the Pb-S bond lengths are are close to each other at 2.7710?(18), 2.8104?(16) and 2.8205?(16)?Å, while the fourth Pb-S bond is elongated at 3.0910?(18)?Å and reflects the fact that this atom is involved in inter-molecular bridging to an adjacent Pb(II) atom [Pb-S = 3.145?(2)?Å]. The bond angles demonstrate that the Pb(II) atom contains a stereochemically active lone pair with a distorted octa-hedral geometry about the Pb(II) atom. This distortion is shown by the S-Pb-S bite angles of 73.63?(4) and 69.50?(4)°, while the remaining S-Pb-S angles range from 81.03?(5) to 143.66?(5)°. One of the benzene rings shows positional disorder over two orientations with occupancy factors of 0.747?(11) and 0.253?(11).

| S-EPMC3588372 | biostudies-literature

Bis(2-nitro-phen-yl)methane.

Project description:In the title compound, C13H10N2O4, the nitro groups are twisted significantly relative to the benzene rings [dihedral angles = 16.64?(18) and 28.02?(11)°]. The benzene groups are nearly perpendicular to each other [dihedral angle = 87.72?(6)°]. Short inter-molecular N?O and C?O [2.981?(2) and 3.060?(2)?Å, respectively] contacts suggest possible weak ?-inter-actions between nitro groups and between benzene and nitro groups. In addition, there are ?-? inter-actions between one benzene group and an inversion-related equivalent [inter-planar separation = 3.494?(2)?Å].

| S-EPMC4158535 | biostudies-literature

Bis(3-nitro-phen-yl) sulfone.

Project description:The asymmetric unit of the title compound, C(12)H(8)N(2)O(6)S, an important diphenyl sulfone derivative, contains one half-mol-ecule; a mirror plane passes through the SO(2) group. The dihedral angle between the two symmetry-related benzene rings is 40.10 (13)°. An intra-molecular C-H⋯O hydrogen bond results in the formation of a five-membered ring, which adopts an envelope conformation.

| S-EPMC2962012 | biostudies-literature

Crystal structure of 5,15-bis-(4-methyl-phen-yl)-10,20-bis-(4-nitro-phen-yl)porphyrin nitro-benzene disolvate.

Project description:The whole mol-ecule of the title porphyrin, C46H32N6O4·2C6H5NO2, which crystallized as a nitro-benzene disolvate, is generated by inversion symmetry. The porphyrin macrocycle is almost planar, the maximum deviation from the mean plane of the non-hydrogen atoms is 0.097 (2) Å. The aryl rings at the meso positions are inclined to this mean plane by 74.84 (6)° for the nitro-phenyl rings and 73.37 (7)° for the tolyl rings. In the crystal, the porphyrin mol-ecules are linked by C-H⋯O hydrogen bonds, forming chains along [100]. The solvent mol-ecules are also linked by C-H⋯O hydrogen bonds, forming chains along [100]. Inter-digitation of the p-tolyl groups along the c axis creates rectangular channels in which the solvent mol-ecules are located.

| S-EPMC5778485 | biostudies-literature

1,2-Bis(2-nitro-phen-yl)disulfane.

Project description:In the title compound, C(12)H(8)N(2)O(4)S(2), the dihedral angle between the two benzene rings is 67.82?(9)°. In the crystal, weak inter-molecular C-H?O hydrogen bonds link the mol-ecules.

| S-EPMC2971076 | biostudies-literature

1,5-Bis(2-methyl-phen-yl)-3-nitro-formazan.

Project description:In the title compound, C(15)H(15)N(5)O(2), the nitro O atoms are disordered over two sets of sites with an occupancy ratio of 0.75?(4):0.25?(4). Amine-imine tautomerism is observed in the formazan group. This was evident from the similar C-N bond distances in the formazan [1.319?(2) and 1.332?(3)?Å], as well as the distribution of the imine proton in the Fourier difference map which refined to a 0.53?(3):0.47?(3) ratio. C-H?O and ?-? inter-actions [centroid-centroid distances = 3.4813?(1) and 3.3976?(1)?Å] are observed in the crystal packing.

| S-EPMC3275183 | biostudies-literature

2,2'-Bis(4-nitro-phen-oxy)-1,1'-binaphth-yl.

Project description:The title compound, C(32)H(20)N(2)O(6), was synthesized by the reaction of 1,1'-binaphthyl-2,2'-diol and 4-nitro-phenol in the presence of K(2)CO(3). The two naphthalene systems make a dihedral angle of 73.70?(5)°. The crystal packing involves mol-ecules connected by C-H?O hydrogen bonds into a chain along the c axis.

| S-EPMC2961794 | biostudies-literature

5-Nitro-2,3-bis-(thio-phen-2-yl)quinoxaline.

Project description:The title compound, C16H9N3O2S2, was synthesized via a condensation reaction in refluxing acetic acid. The dihedral angles between the mean plane of the quinoxaline unit and the thienyl rings are 35.16 (5)° and 24.94 (3)°.

| S-EPMC9462179 | biostudies-literature

1,1,1,3,3,3-Hexafluoro-2,2-bis-[4-(4-nitro-phen-oxy)phen-yl]propane.

Project description:In the title compound, C(27)H(16)F(6)N(2)O(6), the nitro groups are almost coplanar with the aromatic rings to which they are attached [dihedral angles = 3.5 (5) and 6.2 (3)°]. The dihedral angles between adjacent aromatic rings are 78.07 (8) and 71.11 (8)° for nitro-phen-yl/phenyl and 69.50 (8)° for phen-yl/phenyl. An inter-molecular C-H⋯π inter-action seems to be effective in the stabilization of the structure.

| S-EPMC2962162 | biostudies-literature

3,5-Bis(4-fluoro-phen-yl)-1-(4-nitro-phen-yl)-4,5-dihydro-1H-pyrazole.

Project description:In the title compound, C(21)H(15)F(2)N(3)O(2), a pyrazole derivative bearing three aromatic substituents, the central five-membered heterocyclic ring makes dihedral angles of 1.77?(14), 3.68?(13) and 72.15?(14)° with the three benzene rings. In the crystal, C-H?O and C-H?F inter-actions connect the mol-ecules into double layers parallel to the bc plane.

| S-EPMC3515302 | 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