Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3a,11b-Dihy-droxy-3a,11b-dihydro-1H-imidazo[4,5-f][1,10]phenanthroline-2(3H)-thione.

ABSTRACT: The title compound, C(13)H(10)N(4)O(2)S, was prepared through a cyclization reaction of 1,10-phenanthroline-5,6-dione and thio-urea. The dihedral angle between the pyridine rings is 8.22?(2)°. In the crystal, mol-ecules are connected by N-H?O, O-H?N, N-H?S and O-H?S hydrogen bonds, forming a three-dimensional network.

SUBMITTER: Wang H

PROVIDER: S-EPMC3254542 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3a,11b-Dihy-droxy-3a,11b-dihydro-1H-imidazo[4,5-f][1,10]phenanthroline-2(3H)-thione.

Wang Hua H Mei Peng P Chu Wen-Yi WY Sun Zhi-Zhong ZZ Hou Yan-Jun YJ

Acta crystallographica. Section E, Structure reports online 20111221 Pt 1

The title compound, C(13)H(10)N(4)O(2)S, was prepared through a cyclization reaction of 1,10-phenanthroline-5,6-dione and thio-urea. The dihedral angle between the pyridine rings is 8.22 (2)°. In the crystal, mol-ecules are connected by N-H⋯O, O-H⋯N, N-H⋯S and O-H⋯S hydrogen bonds, forming a three-dimensional network. ...[more]

PMID: 22259489

Similar Datasets

3a,11b-Dihydr-oxy-2-oxo-2,3,3a,11b-tetra-hydro-1H-imidazo[4,5-f][1,10]phenanthrolin-7-ium chloride.

Project description:In the crystal structure of the title compound, C(13)H(11)N(4)O(3) (+)·Cl(-), the dihedral angle between the two pyridine rings is 9.72 (9) Å. Ions are linked via N-H⋯Cl, O-H⋯Cl and O-H⋯O hydrogen bonds, forming a three-dimensional framework.

| S-EPMC2962096 | 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 π-π 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-(Dimethyl-amino)phen-yl]imidazo[4,5-f][1,10]phenanthroline sesquihydrate.

Project description: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.

| S-EPMC2961644 | 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

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

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

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

1,2-Dihydro-9H-carbazole-4(3H)-thione.

Project description:The crystal structure of the title compound, C(12)H(11)NS, features parallel chains of alternating N-H⋯S hydrogen-bonded mirror-image conformers along [10[Formula: see text]]. The mol-ecular conformation is that of an envelope, with all of the framework atoms except one close to a mean plane (rms deviation 0.054 Å); one C atom of the cyclo-hexene-thione ring forms the envelope flap, which makes a dihedral angle of 48.6 (1)° with the rest of the mol-ecule. There is a π-π* inter-action between pairs of enanti-omers in adjacent chains; the distance between parallel planes is 3.466 (1) Å.

| S-EPMC3099987 | biostudies-literature

?-2,5-Dihy-droxy-terephthalato-bis-[tri-aqua-(1,10-phenanthroline)zinc] dihy-droxy-terephthalate.

Project description:In the title compound, [Zn2(C8H4O6)(C12H8N2)2(H2O)6](C8H4O6), the complete ions of both the binuclear dication and the dianion are generated by crystallographic inversion symmetry. The Zn atom is bonded to an N,N'-bidentate phenanthroline ligand, three water moleules and an O-mono-denate 2,5-dihy-droxy-terephthalate dianion. In the resulting distorted octa-hedral ZnN2O4 coordination poly-hedron, the water O atoms are in a mer orientation. Two intra-molecular O-H?O hydrogen bonds occur in the bridging 2,5-dihy-droxy-terephthalate dianion within the complex cation and also in the free dianion. An intra-molecular Ow-H?O (w = water) hydrogen bond also occurs within the dication. In the crystal, O-H?O hydrogen bonds link the component ions into a three-dimensional network.

| S-EPMC3588754 | 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