Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-[4-(Dimethyl-amino)phen-yl]imidazo[4,5-f][1,10]phenanthroline sesquihydrate.

ABSTRACT: There are two formula units in the asymmetric unit of the title compound, C(21)H(17)N(5)·1.5H(2)O. The imidazo[4,5-f][1,10]phen-an-throline unit is almost coplanar with the benzene ring, the dihedral angles between them being 8.91?(5) and 4.93?(6)° in the two mol-ecules. The crystal structure is stabilized by a series of hydrogen bonds between the water mol-ecules and the N atoms of the imidazophenanthroline groups.

SUBMITTER: Yin GQ

PROVIDER: S-EPMC2961644 | biostudies-literature | 2008 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-[4-(Dimethyl-amino)phen-yl]imidazo[4,5-f][1,10]phenanthroline sesquihydrate.

Yin Gang-Qiang GQ

Acta crystallographica. Section E, Structure reports online 20080607 Pt 7

There are two formula units in the asymmetric unit of the title compound, C(21)H(17)N(5)·1.5H(2)O. The imidazo[4,5-f][1,10]phen-an-throline unit is almost coplanar with the benzene ring, the dihedral angles between them being 8.91 (5) and 4.93 (6)° in the two mol-ecules. The crystal structure is stabilized by a series of hydrogen bonds between the water mol-ecules and the N atoms of the imidazophenanthroline groups. ...[more]

PMID: 21202873

Similar Datasets

2-(4-tert-Butyl-phen-yl)-1H-imidazo[4,5-f][1,10]phenanthroline sesquihydrate.

Project description:In the title compound, C(23)H(20)N(4)·1.5H(2)O, the mean planes of the imidazo[4,5-f][1,10]phenanthroline system and the benzene ring make a dihedral angle of 21.76?(2)°. One water O atom lies on a twofold rotation axis. The organic mol-ecules and water mol-ecules are linked via N-H?O, O-H?N and O-H?O hydrogen bonds. Weak inter-molecular C-H?N hydrogen bonds and ?-? stacking inter-actions between inversion-related phenanthroline rings complete the three-dimensional hydrogen-bonding network in the crystal structure. The stacking distance is short at 3.513?(2)?Å and the perpendicular distance between the rings is 3.355?Å. The three methyl groups are disordered over two positions, with a site-occupancy ratio of 0.875?(14):0.125?(14).

| S-EPMC2969225 | biostudies-other

2-(4-Fluoro-phen-yl)-1-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline monohydrate.

Project description:In the title compound, C(25)H(15)FN(4)·H(2)O, the fused ring system is essentially planar [maximum deviation of 0.0822?(14)?Å]. The imidazole ring makes dihedral angles of 76.83?(7) and 32.22?(7)° with the phenyl group attached to nitro-gen and the fluoro-benzene group to carbon, respectively. The dihedral angle between the two phenyl rings is 72.13?(7)°. Inter-molecular O-H?N, O-H?F, C-H?F, C-H?O and C-H?N hydrogen bonds are found in the crystal structure.

| S-EPMC3212347 | biostudies-literature

5H-Imidazo[4,5-f][1,10]phenanthroline.

Project description:The title mol-ecule, C(13)H(8)N(4), is is essentially planar [r.m.s. deviation for all non-H atoms = 0.025?(3)?Å]. In the crystal, mol-ecules are connected through one weak bifurcated N-H?(N,N) hydrogen bond and three ?-? stacking inter-actions between pyridine and imidazole rings [centroid-centroid distance = 3.631?(8)?Å] and between pyridine and benzene rings [centroid-centroid distances = 3.675?(5) and 3.666?(2)?Å].

| S-EPMC3344565 | biostudies-literature

2-(4-Methyl-phen-yl)-1H-imidazo[4,5-f][1,10]phenanthroline.

Project description:In the title compound, C(20)H(14)N(4), all the non-H atoms are roughly coplanar with an r.m.s. deviation of 0.0776?Å. In the crystal, mol-ecules are linked by N-H?N hydrogen bonds, forming chains along the ([Formula: see text]). The chains are connected by inter-molecular C-H?N hydrogen bonds and ?-? stacking inter-actions between inversion-related phenanthroline, imidazole and phenyl rings with centroid-centroid distances in the range 3.777?(1)-3.905?(1)?Å.

| S-EPMC3099870 | biostudies-other

catena-Poly[[diaqua-(1H-imidazo[4,5-f][1,10]phenanthroline)cobalt(II)]-?-sulfato].

Project description:The Co(II) ion in the title complex, [Co(SO(4))(C(13)H(8)N(4))(H(2)O)(2)](n), has a slightly distorted octa-hedral coordination environment formed by two O atoms from two symmetry-related bridging sulfate ligands, two N atoms from a bis-chelating 1H-imidazo[4,5-f][1,10]phenanthroline (IPL) ligand and two O atoms from coordinated water mol-ecules. The bridging sulfate ligands connect Co(II) ions to form a one-dimensional chain along the b-axis direction. In the crystal structure, inter-molecular O-H?O, O-H?N and N-H?O hydrogen bonds link the chains into a three-dimensional network.

| S-EPMC2969714 | biostudies-literature

1,2-Diphenyl-1H-imidazo[4,5-f][1,10]phenanthroline.

Project description:In the title compound, C(25)H(16)N(4), the fused ring system is essentially planar [maximum deviation = 0.1012?(15)?Å]. The imidazole ring makes dihedral angles of 77.41?(8) and 56.26?(8)° with the phenyl rings attached to nitro-gen and carbon, respectively. The dihedral angle between the two phenyl rings is 65.50?(8)°. Weak C-H?? inter-actions are found in the crystal structure.

| S-EPMC3099849 | biostudies-other

Bis(imidazo[4,5-f][1,10]phenanthroline)dinitratolead(II).

Project description:In the title compound, [Pb(NO(3))(2)(C(13)H(8)N(4))(2)], the Pb(II) atom (site symmetry 2) is hexa-coordinated by four N atoms from two N,N'-bidentate imidazo[4,5-f][1,10]phenanthroline (L) ligands and two O atoms from two weakly coordinated nitrate ions [Pb-O = 2.872?(5)?Å] in an irregular arrangement, which may be ascribed to the stereochemically active lone pair of electrons on the metal ion. In the crystal, inter-molecular bifurcated N-H?(O,O) hydrogen bonds connect the mol-ecules into chains propagating along [100]. Adjacent chains inter-act by strong aromatic ?-? stacking inter-actions, with a centroid-centroid distance of 3.483?(2)?Å.

| S-EPMC2967897 | biostudies-other

2-(2,4,6-Trimethyl-phen-yl)-1,10-phenanthroline.

Project description:In the title mol-ecule, C(21)H(18)N(2), the mean plane of the benzene ring of the mesityl group forms a dihedral angle of 82.69 (4)° with that of the phenanthroline ring system. The crystal structure is stabilized by π-π stacking inter-actions between the phenanthroline system and the benzene ring of the mesityl group of a symmetry-related mol-ecule, with centroid-centroid distances of 3.7776 (14) and 3.7155 (13) Å.

| S-EPMC2968955 | biostudies-literature

2,9-Bis(5-sulfanylidene-4,5-di-hydro-1,3,4-oxa-diazol-2-yl)-1,10-phenanthroline dimethyl sulfoxide disolvate.

Project description:In the title compound, C16H8N6O2S2·2C2H6OS, the phenanthroline mol-ecule resides on a twofold axis, and the asymmetric unit also contains a slightly disordered [occupancy ratio for S atom of 0.95?(3):0.047?(3)] mol-ecule of dimethyl sulfoxide. The O atoms of the solvent mol-ecule accept hydrogen bonds from the N-H groups of the five-membered 2,3-di-hydro-1,3,4-oxa-diazole-2-thione ring. This ring is nearly coplanar with the phenanthroline ring, with a dihedral angle between their least-squares planes of 8.86?(6)°. In the crystal, the mol-ecules are linked by C-H?O inter-actions.

| S-EPMC3998466 | biostudies-literature

2-(2-Fur-yl)-1H-imidazo[4,5-f][1,10]phenanthroline-3,7-diium dichloride monohydrate.

Project description:The organic cation of the title salt, C(17)H(12)N(4)O(2+)·2Cl(-)·H(2)O, is nearly planar, the dihedral angle between two pyridine rings being 2.53?(16)° and that between the pyridinum and furan rings being 4.17?(19)°. Mol-ecules are linked via N-H?O, N-H?Cl and O-H?Cl hydrogen bonds, forming a three-dimensional framework and ?-? stacking inter-actions help to stabilize the crystal structure [the imidazole-pyridine and imidazole-benzene centroid-centroid distances are 3.501?(3) and 3.674?(3)?Å; respectively].

| S-EPMC2968264 | biostudies-other

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