Browse
Submit Data
Databases
API
Help

Dataset Information

9 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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].

SUBMITTER: Chen MH

PROVIDER: S-EPMC2968264 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

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

Chen Ming-Hua MH Zhang Yun-Qian YQ Zhu Qian-Jiang QJ Xue Sai-Feng SF Tao Zhu Z

Acta crystallographica. Section E, Structure reports online 20090117 Pt 2

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 π-π 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; r ...[more]

PMID: 21581942

Similar Datasets

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

1H-Imidazo[4,5-f][1,10]phenanthrolin-7-ium perchlorate monohydrate.

Project description:In the title crystal structure, C(13)H(9)N(4) (+)·ClO(4) (-)·H(2)O, cations, anions and water mol-ecules are linked through inter-molecular N-H?O, O-H?N and O-H?O hydrogen bonds, forming layers parallel to (001). In addition, there are weak ?-? stacking inter-actions between the layers, involving the cations and with centroid-centroid distances in the range 3.584?(2)-3.662?(2)?Å, forming a three-dimensional network.

| S-EPMC2970354 | 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-(1H-Imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol monohydrate.

Project description:The asymmetric unit of the title compound, C(19)H(12)N(4)O·H(2)O, contains one organic molecule and one solvent water mol-ecule, which are connected by N-H?O and O-H?N hydrogen bonds. In addition, there is one intra-molecular O-H?N hydrogen bond. The organic mol-ecule is essentially planar (r.m.s. deviation for all non-H atoms = 0.028?Å).

| S-EPMC2961708 | biostudies-literature

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

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

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

Project description: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.

| S-EPMC3254542 | biostudies-literature

Di-?-sulfato-?O:O'-bis-[diaqua-(1H-imidazo[4,5-f][1,10]phenanthroline-?N,N)cobalt(II)] dihydrate.

Project description:In the centrosymmetric dinuclear title compound, [Co(2)(SO(4))(2)(C(13)H(8)N(4))(2)(H(2)O)(4)]·2H(2)O, the Co(II) atom is coord-in-ated by two N atoms from two 1H-imidazo[4,5-f][1,10]phenanthroline ligands, two O atoms from two sulfate anions and two O atoms from water mol-ecules in a distorted octa-hedral geometry. The Co?Co separation is 5.1167?(7)?Å. The coordinated and uncoordinated water mol-ecules engage in N-H?O and O-H?O hydrogen-bonding inter-actions.

| S-EPMC2977338 | biostudies-literature

Di-?-sulfato-bis-[diaqua-(1H-imidazo[4,5-f][1,10]phenanthroline)iron(II)] dihydrate.

Project description:The title dinuclear Fe(II) complex, [Fe(2)(SO(4))(2)(C(13)H(8)N(4))(2)(H(2)O)(4)]·2H(2)O, is centrosymmetric. Two sulfate anions bridge two Fe(II) cations to form the binuclear complex. Each Fe(II) cation is coordinated by two N atoms from a 1H-imidazo[4,5-f][1,10]phenanthroline (IP) ligand, two O atoms from two sulfate anions and two water mol-ecules in a distorted octa-hedral geometry. Extensive O-H?O, N-H?O and O-H?N hydrogen bonding is present in the crystal structure. Weak ?-? stacking is observed between parallel IP ring systems, the face-to-face separation being 3.428?(14)?Å.

| S-EPMC3007828 | 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