Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4,5-Bis(1H-imidazol-1-ylmeth-yl)acridine monohydrate.

ABSTRACT: In the title compound, C(21)H(17)N(5)·H(2)O, the dihedral angles between the acridine ring system and the imidazole rings are 78.8?(1) and 71.2?(1)°. The crystal packing is stabilized by O-H?N, C-H?O, C-H?? and ?-? inter-actions [centroid-centroid separations = 3.732?(1) and 3.569?(1)?Å].

SUBMITTER: Thenmozhi S

PROVIDER: S-EPMC2969870 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

4,5-Bis(1H-imidazol-1-ylmeth-yl)acridine monohydrate.

Thenmozhi S S Ranjith S S Raja S S Rajakumar P P Subbiahpandi A A

Acta crystallographica. Section E, Structure reports online 20090822 Pt 9

In the title compound, C(21)H(17)N(5)·H(2)O, the dihedral angles between the acridine ring system and the imidazole rings are 78.8 (1) and 71.2 (1)°. The crystal packing is stabilized by O-H⋯N, C-H⋯O, C-H⋯π and π-π inter-actions [centroid-centroid separations = 3.732 (1) and 3.569 (1) Å]. ...[more]

PMID: 21577612

Similar Datasets

4-[4,5-Bis(pyridin-2-yl)-1H-imidazol-2-yl]phenol monohydrate.

Project description:In the title hydrate, C(19)H(14)N(4)O·H(2)O, the dihedral angle between the two pyridine rings is 38.0?(2)°. The dihedral angle between the imidazole and benzene rings is 25.3?(2)°. The crystal structure is stabilized by inter-molecular O-H?O, O-H?N and N-H?O hydrogen bonds.

| S-EPMC3050325 | biostudies-literature

4,5-Bis(1H-tetra-zol-5-yl)-1H-imidazole monohydrate.

Project description:The title compound, C(5)H(4)N(10)·H(2)O, is composed of three five-membered rings that are essentially coplanar, the dihedral angles between the imidazole ring and the tetra-zole rings being 3.5?(2) and 3.0?(2)°. In the crystal, inter-molecular O-H?N, N-H?O and N-H?N hydrogen bonds lead to the formation of a three-dimensional network. An intra-molecular N-H?N hydrogen bond is also present.

| S-EPMC2969525 | biostudies-literature

[2,6-Bis(4,5-dihydro-1H-imidazol-2-yl)pyridine]dichloridomanganese(II).

Project description:In the title compound, [MnCl(2)(C(11)H(13)N(5))], the Mn(II) ion is five-coordinated in a distorted square-pyramidal geometry, with three N atoms from the neutral tridentate 2,6-bis-(4,5-dihydro-1H-imidazol-2-yl)pyridine ligand and one chloride ion forming the basal plane and the other chloride ion in the apical position. Both dihydro-imidazole rings adopt envelope conformations. In the crystal structure, mol-ecules are linked into a three-dimensional network by N-H?Cl and C-H?Cl hydrogen bonds.

| S-EPMC2977615 | biostudies-literature

Bis[2-(4-amino-phen-yl)-4,5-dihydro-1H-imidazol-3-ium] dichloride monohydrate.

Project description:The asymmetric unit of the title compound, 2C(9)H(12)N(3) (+)·2Cl(-)·H(2)O, comprises two mol-ecules, two chloride anions and one mol-ecule of crystal water. In the imidazolinium ring, the protonation contributes to delocalization of the positive charge over the two C-N bonds. Both chloride anions are acceptors of four hydrogen bonds in a flattened tetra-hedron environment. The donors are NH(2) groups, the NH groups of the imidazolinium rings and the water mol-ecule. These hydrogen bonds and N-H?O(H(2)O) hydrogen bonds form a three-dimensional network.

| S-EPMC3239081 | biostudies-other

4-[3-(1H-Imidazol-1-yl)prop-yl]-3-methyl-5-(thio-phen-2-ylmeth-yl)-4H-1,2,4-triazole monohydrate.

Project description:In the title compound, C(14)H(17)N(5)S·H(2)O, the triazole ring makes dihedral angles of 48.15?(8) and 84.92?(8)° with the imidazole and thio-phenyl rings, respectively. The water mol-ecule is involved in inter-molecular O-H?N hydrogen bonding.

| S-EPMC3011757 | biostudies-literature

2-[4-(4,5-Dihydro-1H-imidazol-2-yl)phen-yl]-4,5-dihydro-1H-imidazol-3-ium 4-amino-benzoate.

Project description:In the cation of the title compound, C(12)H(15)N(4) (+)·C(7)H(6)NO(2) (-), the benzene ring makes dihedral angles of 30.51?(9) and 25.64?(9)° with the imidazole and imidazolinium rings, respectively. In the crystal, inter-molecular N-H?O and N-H?N hydrogen-bonding inter-actions link the mol-ecules into a three-dimensional network.

| S-EPMC3050166 | biostudies-literature

1,3-Bis(2,6-diisopropyl-phen-yl)-4,5-dihydro-1H-imidazol-3-ium triiodide.

Project description:In the crystal structure of the title compound, C(27)H(39)N(2) (+)·I(3) (-), the imidazolidinium ring is perpendicular to a mirror plane which bis-ects the cation. The dihedral angle between the imidazolidinium ring and the benzene ring is 89.0?(2)°. The triiodide anion also lies on a mirror plane and is almost linear with an I-I-I bond angle of 178.309?(18)°.

| S-EPMC3011707 | biostudies-literature

2-(Furan-2-yl)-1,3-bis(furan-2-ylmeth-yl)-1H-benzimidazol-3-ium chloride monohydrate.

Project description:The title hydrated salt, C(21)H(17)N(2)O(3) (+)·Cl(-)·H(2)O, exhibits disorder in one of the furan rings. The major and minor components have a refined occupancy ratio of 0.844?(19):0.156?(19). The structure displays intermolecular hydrogen bonding involving the water molecule and the chloride anion. Close intermolecular C-H?Cl and C-H?(furan ring) inter-actions complete the hydrogen bonding.

| S-EPMC3470365 | biostudies-literature

catena-Poly[[[diaqua-manganese(II)]-bis-[μ-1,3-bis-(1H-imidazol-1-ylmeth-yl)benzene-κN:N]] dinitrate].

Project description:In the title compound, {[Mn(C(14)H(14)N(4))(2)(H(2)O)(2)](NO(3))(2)}(n), the Mn(II) ion is located on an inversion center and is coordinated by four N atoms from four 1,3-bis-(1H-imidazol-1-ylmeth-yl)benzene (L) ligands and two water mol-ecules in a distorted octa-hedral geometry. Two L ligands are related by a centre of symmetry and bridge Mn(II) ions, forming a positively charged polymeric chain in [101]. Uncoordinated nitrate anions further link these chains into layers parallel to the ac plane via O-H⋯O hydrogen bonds.

| S-EPMC3246916 | biostudies-literature

2-(4,5-Dihydro-1H-imidazol-2-yl)-pyridine.

Project description:In the mol-ecule of the title compound, C(8)H(9)N(3), a new imidazoline derivative, the six- and five-membered rings are slightly twisted away from each other, forming a dihedral angle of 7.96 (15)°. In the crystal structure, neighbouring mol-ecules are linked together by inter-molecular N-H⋯N hydrogen bonds into extended one-dimensional chains along the a axis. The pyridine N atom is in close proximity to a carbon-bound H atom of the imidazoline ring, with an H⋯N distance of 2.70 Å, which is slightly shorter than the sum of the van der Waals radii of these atoms (2.75 Å). The crystal structure is further stabilized by inter-molecular C-H⋯π and π-π inter-actions (centroid-to-centroid distance 3.853 Å).

| S-EPMC2969000 | 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