Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4,7-Diphenyl-2,9-bis-(trichloro-meth-yl)-1,10-phenanthroline.

ABSTRACT: In the title compound, C(26)H(14)Cl(6)N(2), the phenanthroline ring system is essentially planar, with an r.m.s. deviation of 0.048?(6)?Å, and makes dihedral angles of 64.8?(14) and 66.6?(6)° with the two terminal phenyl rings. One of the trichloro-methyl groups is disordered over two positions, with occupancies of 0.42?(2) and 0.58?(2).

SUBMITTER: Xie MH

PROVIDER: S-EPMC2980224 | biostudies-literature | 2009 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4,7-Diphenyl-2,9-bis-(trichloro-meth-yl)-1,10-phenanthroline.

Xie Min-Hao MH Liu Ya-Ling YL Zou Pei P He Yong-Jun YJ Huang Biao B

Acta crystallographica. Section E, Structure reports online 20091204 Pt 1

In the title compound, C(26)H(14)Cl(6)N(2), the phenanthroline ring system is essentially planar, with an r.m.s. deviation of 0.048 (6) Å, and makes dihedral angles of 64.8 (14) and 66.6 (6)° with the two terminal phenyl rings. One of the trichloro-methyl groups is disordered over two positions, with occupancies of 0.42 (2) and 0.58 (2). ...[more]

PMID: 21580152

Similar Datasets

2,9-Bis(trichloro-meth-yl)-1,10-phenanthroline.

Project description:The asymmetric unit of the title compound, C(14)H(6)Cl(6)N(2), contains two crystallographically independent mol-ecules, each of which is slightly twisted from planarity. The dihedral angles between the central ring and the two outer rings are 3.81?(7) and 4.30?(7)° in one mol-ecule, and 4.13?(8) and 4.10?(7)° in the other. In the crystal structure, mol-ecules are inter-linked by C-Cl?Cl inter-actions into sheets parallel to the ac plane. These sheets are stacked along the b axis in such a way that the mol-ecules are anti-parallel; they are further connected into a supra-molecular network. There are no classical hydrogen bonds. C?Cl [3.637?(2)?Å], Cl?Cl [3.5639?(5)-3.6807?(8)?Å] and Cl?N [3.3802?(15)-3.4093?(15)?Å] short contacts and ?-? inter-actions, with centroid-centroid distances in the range 3.5868?(9)-3.7844?(9)?Å, are observed.

| S-EPMC2979670 | biostudies-literature

Dichlorido(2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-?N,N')mercury(II) acetonitrile hemisolvate.

Project description:The asymmetric unit of the title compound, [HgCl(2)(C(26)H(20)N(2))]·0.5CH(3)CN, contains two crystallographic-ally independent [HgCl(2)(C(26)H(20)N(2))] mol-ecules and one acetonitrile solvent mol-ecule. The Hg(II) atoms are four-coordin-ated in distorted tetra-hedral configurations by two N atoms from 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline ligands and two Cl atoms. The ligand ring systems are not planar. The phenyl rings are oriented at dihedral angles of 74.61?(3) and 66.00?(3)° in the two molecules. In the crystal structure, ?-? contacts between phenanthroline rings [centroid-centroid distances = 3.809?(1), 3.686?(1), 3.986?(1), 3.877?(1), 3.697?(1), 3.789?(1), 3.745?(1), 3.797?(1) and 3.638?(1)?Å] may stabilize the structure.

| S-EPMC2977193 | biostudies-literature

4,7-Diphenyl-1,10-phenanthroline methanol hemisolvate.

Project description:The asymmetric unit of the title compound, C24H16N2·0.5CH3OH, is comprised of two independent bathophenanthroline mol-ecules (systematic name: 4,7-diphenyl-1,10-phenanthroline) and one methanol mol-ecule. The bathophenanthroline mol-ecules are not planar as there is a considerable rotation of all terminal phenyl rings with respect to the central phenanthroline units [dihedral angles in the range 52.21 (12)-62.14 (10)°]. In addition, a non-negligible torsion is apparent in one of the phenanthroline units: the angle between the mean planes of the two pyridine rings is 14.84 (13)°. The methanol solvent mol-ecule is linked to both N atoms of a bathophenanthroline mol-ecule through a bifurcated O-H⋯(N,N) hydrogen bond.

| S-EPMC3772457 | biostudies-literature

Di-?-bromido-bis-[bromido(4,7-diphenyl-1,10-phenanthroline-?(2) N,N')cadmium].

Project description:The title compound, [Cd2Br4(C24H16N2)2], consists of a centrosymmetric dimeric unit in which two Br atoms bridge two Cd(II) atoms, forming a four-membered ring. A terminal Br atom and a bidentate chelating 4,7-diphenyl-1,10-phenanthroline ligand complete a square-pyramidal geometry for the Cd(II) atom. In the crystal, C-H?Br hydrogen bonds and ?-? contacts between the pyridine and phenyl rings [centroid-centroid distances = 3.704?(4) and 3.715?(4)?Å] lead to a three-dimensional supra-molecular structure.

| S-EPMC3588733 | biostudies-literature

trans-Bis(4,7-diphenyl-1,10-phenanthroline-?N,N')bis-(nitrato-?O,O')zinc(II).

Project description:The title compound, [Zn(NO(3))(2)(C(24)H(16)N(2))(2)], is a twofold axially symmetric coordination compound. Given that the Zn-O interactions [2.4926?(15) and 2.6673?(15)?Å] can be considered as weakly bonding and the nitrate ions share the same C(2) axis of the Zn(dpp)(2) fragment (dpp is 4,7-diphenyl-1,10-phenanthroline), these anions belong to the coordination sphere of Zn(2+), leading to a complex with an overall coordination number of 8 for the metal ion.

| S-EPMC3011604 | biostudies-literature

(4,7-Diphenyl-1,10-phenanthroline-κN,N')dimethyl-bis-(thio-cyanato-κN)tin(IV).

Project description:In the title compound, [Sn(CH(3))(2)(NSC)(2)(C(24)H(16)N(2))], a 1:1 adduct of dimethyl-tin diisothio-cyanate with 4,7-diphenyl-1,10-phenanthroline, the Sn(IV) atom shows a slightly distorted octa-hedral SnC(2)N(4) coordination. The methyl groups are trans to each other in the octa-hedron surrounding the metal atom [C-Sn-C = 176.61 (12)°].

| S-EPMC3051511 | biostudies-literature

2,9-Bis(4-pyridylmeth-oxy)-1,10-phenanthroline.

Project description:In the title mol-ecule, C(24)H(18)N(4)O(2), the dihedral angles between the mean plane of the phenanthroline ring system and the pyridine rings are 82.52?(5) and 71.58?(4)°. The dihedral angle between the two pyridine ring planes is 53.54?(6)°. In the crystal structure, there are ?-? stacking inter-actions between 1,10-phenanthroline rings, with centroid-centroid distances of 3.6101?(11) and 3.5864?(11)?Å.

| S-EPMC2970499 | biostudies-literature

2,9-Bis(1,3-benzothia-zol-2-yl)-1,10-phenanthroline dichloro-methane disolvate.

Project description:In the title compound, C(26)H(14)N(4)S(2)·2CH(2)Cl(2), the two pendant benzothia-zole groups are slightly twisted with respect to the phenanthroline core [dihedral angles = 1.03?(7) and 9.05?(5)°]. Weak inter-molecular C-H?N and C-H?Cl inter-actions occur in the crystal structure.

| S-EPMC2960670 | biostudies-literature

2,9-Dimethyl-4,7-diphenyl-1,10-phenanthrolin-1-ium tetra-chloridoaurate(III).

Project description:Both the cation and anion of the title compound, (C(26)H(21)N(2))[AuCl(4)], are disposed about a plane of mirror symmetry. The 2,9-dimethyl-4,7-diphenyl-1,10-phenanthrolinium ring is oriented at a dihedral angle of 44.2 (1)° with respect to the planar phenyl ring systems. The Au(III) atom has a square-planar environment defined by four Cl atoms. The crystal structure is stabilized by C-H⋯π and Au⋯π ring-metal (3.551 Å) inter-actions. In the crystal structure, the mol-ecules stack along the c axis via N-H⋯N hydrogen-bond inter-actions.

| S-EPMC2977548 | biostudies-literature

Tris(1,10-phenanthroline)cobalt(II) bis-(trichloro-acetate).

Project description:In the title complex, [Co(C(12)H(8)N(2))(3)](C(2)Cl(3)O(2))(2), the Co(II) ion lies on a twofold rotation axis and is coordinated by six N atoms from three bis-chelating 1,10-phenanthroline ligands in a distorted octa-hedral environment. The crystal structure is stabilized by weak inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC3152094 | 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