Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,10-Bis(4-nitro-phen-oxy)deca-ne.

ABSTRACT: The title compound, C(22)H(28)N(2)O(6), crystallizes with four half-mol-ecules in the asymmetric unit: each mol-ecule is located about a crystallographic inversion centre. The central methyl-ene groups of two mol-ecules are disordered over two sets of equally occupied sites. The crystal packing is characterized by sheets of mol-ecules parallel to (14).

SUBMITTER: Akhter T

PROVIDER: S-EPMC2983734 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1,10-Bis(4-nitro-phen-oxy)deca-ne.

Akhter Toheed T Siddiqi Humaira M HM Akhter Zareen Z Bolte Michael M

Acta crystallographica. Section E, Structure reports online 20100206 Pt 3

The title compound, C(22)H(28)N(2)O(6), crystallizes with four half-mol-ecules in the asymmetric unit: each mol-ecule is located about a crystallographic inversion centre. The central methyl-ene groups of two mol-ecules are disordered over two sets of equally occupied sites. The crystal packing is characterized by sheets of mol-ecules parallel to (14). ...[more]

PMID: 21580301

Similar Datasets

1,10-Bis[2-(prop-1-en-yl)phen-oxy]deca-ne.

Project description:The complete molecule of the title compound, C(28)H(38)O(2), is generated by a crystallographic centre of symmetry. The molecular conformation displays an intra-molecular C-H⋯π inter-action.

| S-EPMC3274965 | biostudies-literature

1,5-Bis(4-nitro-phen-oxy)penta-ne.

Project description:The title compound, C(17)H(18)N(2)O(6), crystallizes with two mol-ecules in the asymmetric unit. In both molecules, one of the C-C bonds of the penta-methyl-ene chain connecting the two aromatic rings is in a trans conformation and another displays a gauche conformation. The aromatic rings within each mol-ecule are nearly coplanar [dihedral angles = 3.36 (9) and 4.50 (9)°] and the nitro groups are twisted slightly out of the planes of their attached rings [dihedral angles = 8.16 (3)/6.6 (2) and 4.9 (4)/3.8 (3)°].

| S-EPMC2977647 | biostudies-literature

Benzene-1,3,5-tricarb-oxy-lic acid-1,10-bis-(1,2,4-triazol-1-yl)deca-ne-water (1/1/2).

Project description:In the title 1:1:2 association, C(14)H(24)N(6)·C(9)H(6)O(6)·2H(2)O, the alkyl chain in the 1,10-bis-(1,2,4-triazol-1-yl)decane mol-ecule adopts an extended conformation and the dihedral angle between the aromatic rings is 10.28?(13)°. The benzene-1,3,5-tricarb-oxy-lic acid mol-ecule is close to being planar (r.m.s. deviation = 0.052?Å). In the crystal, the components are linked by O-H?O and O-H?N hydrogen bonds, generating a layered network.

| S-EPMC3011396 | biostudies-literature

1,4-Bis(2-nitro-phen-oxy)butane.

Project description:The asymmetric unit of the title compound, C(16)H(16)N(2)O(6), contains one-half mol-ecule, the mid-point of the central C-C bond being located on a crystallographic inversion center. The crystal structure shows weak inter-actions between the O atoms of the nitro groups and two different C-H groups of the benzene rings. The extended weak hydrogen-bond formation, involving the NO(2) groups, generates an infinite three-dimensional network.

| S-EPMC2972046 | biostudies-literature

Bis(?-2-phen-oxy-propionato-?O:O')bis-[(1,10-phenanthroline-?N,N')bis-(2-phen-oxy-propionato-?O,O')samarium(III)].

Project description:The dimeric title compound, [Sm(2)(C(9)H(9)O(3))(6)(C(12)H(8)N(2))(2)], is centrosymmetric and is composed of six 2-phen-oxy-propionate anions and two 1,10-phenanthroline ligands. The Sm(III) atom is coordinated by two O atoms from two bridging anions, four O atoms from two chelating anions and the N atoms of the N-heterocycle in a distorted dodeca-hedral geometry.

| S-EPMC3200638 | biostudies-literature

Bis(?(2)-2-phen-oxy-propionato-?O:O')bis-[(1,10-phenanthroline-?N,N')bis-(2-phen-oxy-propionato-?O,O')ytterbium(III)].

Project description:In the centrosymmetric binuclear title complex, [Yb(2)(C(9)H(9)O(3))(6)(C(12)H(8)N(2))(2)], the two Yb(III) ions are linked by two 2-phen-oxy-propionate (L) groups in a bidentate bridging mode. Each Yb(III) ion is eight-coordinated by two O atoms from two bridging L ligands, four O atoms from two chelating L groups and two N atoms from one chelating phen mol-ecule in a distorted YbN(2)O(6) dodeca-hedral geometry.

| S-EPMC3201286 | 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

1,3-Bis(2-nitro-phen-oxy)propan-2-ol.

Project description:In the title compound, C(15)H(14)N(2)O(7), the planes of the two benzene rings form a dihedral angle of 33.16 (17)°. In the crystal, inter-molecular hydrogen bonds involveing the OH group and nitro O atoms link the mol-ecules into chains propagating along the a axis.

| S-EPMC3051473 | biostudies-literature

Bis(6-nitro-1,10-phenanthrolin-1-ium) 2,5-di-carb-oxy-terephthalate.

Project description:In the structure of the title 2:1 proton-transfer compound, 2C12H8N3O2 (+)·C10H4O8 (2-), the 6-nitro-1,10-phenanthroline mol-ecules act as proton sponges, accepting protons from pyromellitic acid. The -NO2 group of one of the 6-nitro-1,10-phenanthrolin-1-ium cations is disordered and was refined with a site-occupancy ratio of 0.624 (15):0.376 (15). Two -COOH(-COO(-)) groups of the 2,5-di-carb-oxy-terephthalate dianion are disordered and were refined with site-occupancy ratios of 0.769 (4):0.231 (4) and 0.766 (5):0.234 (5). The -NO2 group of the second cation is also disordered about a pseudo-twofold rotation axis and was refined with a site-occupancy ratio of 0.903 (3):0.097 (3). There is an intra-molecular O-H⋯O hydrogen bond in the anion. The phenanthroline rings of the two cations are inclined to one another by 31.3 (1)°. In the anions, considering the major components only, the carb-oxy-lic acid groups (-COOH) are inclined to the benzene ring by 17.3 (2) and 22.3 (3)°. The carboxyl-ate groups (-COO(-)) are twisted by 9.3 (2) and 13.6 (6)° with respect to the benzene ring. In the crystal, adjacent 2,5-di-carb-oxy-terephthalate anions are linked via O-H⋯O hydrogen bonds, forming chains propagating along [010]. The cations are attached to the chain of anions by N-H⋯O hydrogen bonds.

| S-EPMC3998480 | 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

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