Browse
Submit Data
Databases
API
Help

Dataset Information

19 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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?? inter-action seems to be effective in the stabilization of the structure.

SUBMITTER: Nawaz H

PROVIDER: S-EPMC2962162 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Nawaz H H Akhter Zareen Z Bolte Michael M Butt M S MS Siddiqi Humaira M HM

Acta crystallographica. Section E, Structure reports online 20080719 Pt 8

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. ...[more]

PMID: 21203242

Similar Datasets

4,4'-(1,1,1,3,3,3-Hexafluoro-propane-2,2-diyl)dibenzoic acid.

Project description:In the title compound, C(17)H(10)F(6)O(4), the two benzene rings are twisted with respect to each other, making a dihedral angle of 67.43?(12)°. In the crystal, adjacent mol-ecules are linked by O-H?O and C-H?F hydrogen bonding, forming a wave-like layered supra-molecular structure.

| S-EPMC2979395 | 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(2,3,5,6-tetra-fluoro-4-iodo-phen-oxy)-2,2-bis-[(2,3,5,6-tetra-fluoro-4-iodo-phen-oxy)meth-yl]propane.

Project description:In the crystal structure of the title compound, C29H8F16I4O4, short I?I and I?F contacts, which can be understood as halogen bonds (XBs), represent the strongest inter-molecular inter-actions, consistent with the presence of I and F atoms, and the absence of H atoms, at the periphery of the mol-ecule. In addition, ?-? stacking inter-actions between tetra-fluoro-iodo-phenyl (TFIP) groups and five short F?F inter-actions are present.

| S-EPMC3629626 | biostudies-literature

2,2-Bis(3-chloro-methyl-4-ethoxy-phen-yl)propane.

Project description:The title compound, C(21)H(26)Cl(2)O(2), a bis-chloro-methyl derivative of O-ethyl-ated bis-phenol A, exhibits C(2) mol-ecular symmetry. It shows a bent conformation with the two benzene rings nearly perpendicular [dihedral angle = 87.17?(6)°].

| S-EPMC2961668 | biostudies-literature

N,N'-Bis(4-nitro-phen-yl)biphenyl-2,2'-dicarboxamide.

Project description:In the title compound, C(26)H(18)N(4)O(6), the amide units are approximately coplanar with the benzene ring bonded to the N atom [dihedral angles of 10.59?(10) and 24.00?(12)°], but twisted significantly out of the plane of the benzene ring bonded to the carbonyl C atom [dihedral angles of 57.82?(9) and 58.05?(9)°]. The dihedral angle between the two rings of the biphenyl unit is 77.66?(4)°. Intra-molecular N-H?O hydrogen bonds and weak C-H?O inter-actions occur. The crystal structure is stabilized by inter-molecular N-H?O hydrogen bonds and C-H?O contacts.

| S-EPMC2983665 | biostudies-literature

{[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

2,2-Bis(4-but-oxy-phen-yl)-1,1,1-trichloro-ethane.

Project description:In the structure of the title compound, C(22)H(27)Cl(3)O(2), which is the 4-but-oxy-phenyl analogue of the insecticidally active 4-meth-oxy-phenyl compound meth-oxy-chlor, the dihedral angle between the two benzene rings is 79.61 (11)°. Present also in the structure is an intra-molecular aromatic C-H⋯Cl inter-action.

| S-EPMC3414989 | biostudies-literature

Bis[1-(2-eth-oxy-phen-yl)-3-(4-nitro-phen-yl)triazenido]mercury(II).

Project description:In the title compound, [Hg(C(14)H(13)N(4)O(3))(2)], the central Hg atom (site symmetry 2) is six-coordinated by two tridentate 1-(2-eth-oxy-phen-yl)-3-(4-nitro-phen-yl)triazenide ligands through two N and one O atoms. The mononuclear complex mol-ecules are connected into two parallel chains by inter-molecular C-H⋯O hydrogen-bonding inter-actions. These chains are connected to each other by face-to-edge C-H⋯π inter-actions between the CH of the ethoxy groups and the aromatic rings, resulting in a two-dimensional architecture in the ac plane.

| S-EPMC3007946 | biostudies-literature

3,3'-{[(Biphenyl-2,2'-di-yl)bis-(methyl-ene)]bis-(-oxy)}bis-[N-(4-chloro-phen-yl)benzamide].

Project description:In the title compound, C40H30Cl2N2O4, the two benzene rings of the biphenyl unit are twisted with respect to each other, making a dihedral angle of 73.07?(4)°. The benzene rings of the benzamide groups form dihedral angles of 77.09?(5) and 55.48?(6)° with the central biphenyl moiety. In the crystal, mol-ecules are linked through N-H?O hydrogen bonds to form a fused R 2 (2)(38) ring motif which forms a supermolecular ribbon network extending along the [100] plane. In the two 4-chloro-phenyl rings, the five C atoms and their attached H atoms are disordered over two sets of sites, with site-occupancy factors of 0.657?(15):0.343?(15) and 0.509?(13):0.491?(13).

| S-EPMC3685066 | biostudies-literature

Bis(?-4,4;6,6-bis-(biphenyl-2,2'-diyldi-oxy)-2,2-bis-{2-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]phen-oxy}cyclo-triphosphazene)di-?-chlorido-bis-[chlorido-copper(II)].

Project description:In the crystal of the title compound, [Cu(2)Cl(4)(C(50)H(32)N(9)O(8)P(3))(2)], the binuclear mol-ecule is located across an inversion center. Each Cu(2+) cation is coordinated by two pyridine N atoms from symmetry-related 4,4;6,6-bis-(biphenyl-2,2'-diyldi-oxy)-2,2-bis-{2-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]phen-oxy}cyclo-triphosphazene (L) ligands, a pair of bridging Cl(-) anions and a terminal Cl(-) anion, forming a distorted CuCl(3)N(2) square-pyramidal geometry. Weak intra-molecular C-H?O and inter-molecular C-H?N inter-actions occur in the crystal.

| S-EPMC3344371 | 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