Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,4,5-Tri-2-furyl-1H-imidazole.

ABSTRACT: In the crystal of the title compound, C(15)H(10)N(2)O(3), the molecules are linked together by inter-molecular N-H?N hydrogen bonds into chains along the c axis. The crystal structure also shows weak inter-molecular C-H?? hydrogen bonds. The three furanyl rings bonded to the imidazole core are not coplanar with the latter; the dihedral angles between the furanyl and imidazole ring planes are 29.3?(2), 19.4?(2), and 4.8?(2)°.

SUBMITTER: Wang SJ

PROVIDER: S-EPMC2972117 | biostudies-literature | 2009 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,4,5-Tri-2-furyl-1H-imidazole.

Wang Shuai-Jun SJ Gu Qiang Q Su Qing Q Chen Xiao-Dong XD Zhang Yu-Min YM

Acta crystallographica. Section E, Structure reports online 20091125 Pt 12

In the crystal of the title compound, C(15)H(10)N(2)O(3), the molecules are linked together by inter-molecular N-H⋯N hydrogen bonds into chains along the c axis. The crystal structure also shows weak inter-molecular C-H⋯π hydrogen bonds. The three furanyl rings bonded to the imidazole core are not coplanar with the latter; the dihedral angles between the furanyl and imidazole ring planes are 29.3 (2), 19.4 (2), and 4.8 (2)°. ...[more]

PMID: 21578905

Similar Datasets

2,4,5-Tri-4-pyridyl-1H-imidazole monohydrate.

Project description:The title compound, C(18)H(13)N(5)·H(2)O, was synthesized by the condensation of pyridine-4-carbaldehyde and ammonium acetate, forming a multipyridyl ligand. In the crystal, mol-ecules are linked into chains by O-H?N hydrogen bonds. The chains are linked by weak C-H?N inter-actions, generating a layer structure.

| S-EPMC2970424 | biostudies-other

Lophine (2,4,5-triphenyl-1H-imidazole).

Project description:The title compound, C(21)H(16)N(2), has been known since 1877. Although the crystal structure of 36 derivatives of lophine are known, the structure of parent compound has remained unknown until now. The three phenyl rings bonded to the imidazole core are not coplanar with the latter, with dihedral angles of 21.4?(3), 24.7?(3), and 39.0?(3)°, respectively, between the phenyl ring planes in the 2-, 4- and 5-positions of the imidazole ring. The mol-ecules are packed in layers running perpendicular to the b axis. Although there are acceptor and donor atoms for hydrogen bonds, no such inter-actions are detected in the crystal in contrast to other lophine derivatives.

| S-EPMC2968781 | biostudies-literature

2,4,5-Tris(pyridin-4-yl)-1H-imidazole monohydrate.

Project description:In the crystal structure of the title compound, C(18)H(13)N(5)·H(2)O, adjacent mol-ecules are linked by O-H?N and N-H?O hydrogen bonds, generating a chain propagating along [001].

| S-EPMC3254476 | biostudies-literature

2,4,5-Triphenyl-1-(prop-2-en-1-yl)-1H-imidazole.

Project description:In the title compound, C24H20N2, one of the ring C atoms and one of the ring N atoms are disordered over two sets of sites in a 0.615?(3):0.385?(3) ratio. The two parts of the disordered imidazole ring adopt an envelope conformation, with the undisordered ring N atom as the flap, displaced by -0.118?(6) and 0.226?(7)?Å, respectively, in the two disorder components from the plane through the other ring atoms. The crystal structure features C-H?N hydrogen bonds and C-H?? inter-actions, which lead to the formation of infinite chains along [010].

| S-EPMC3685121 | biostudies-literature

1-[(2S)-1-Chloro-3-phenyl-propan-2-yl]-2,4,5-triphenyl-1H-imidazole.

Project description:In the title compound, C(30)H(25)ClN(2), the chiral center maintains the S configuration of the stating l-phenyl-alaninol. The two phenyl groups closest to the substituted N atom adopt an almost perpendicular orientation relative to the central imidazole ring, with dihedral angles of 88.9 (4) and 84.7 (3)°. The third phenyl group is nearly coplanar with it, making a dihedral angle of 11.0 (5)°.

| S-EPMC3344096 | biostudies-literature

Di-chlorido-bis-[1-(2,4,6-tri-methyl-phen-yl)-1H-imidazole-κN (3)]copper(II).

Project description:In the title complex, [CuCl2(C12H14N2)2], the Cu(2+) cation is situated on an inversion centre and is coordinated by two N atoms from symmetry-related 1-mesityl-1H-imidazole ligands and by two chloride anions in a slightly distorted square-planar geometry. In the organic ligand, the dihedral angle between the benzene ring of the mesityl moiety and the imidazole ring is 76.99 (18)°. Weak intra-molecular C-H⋯Cl hydrogen-bonding inter-actions consolidate the mol-ecular conformation.

| S-EPMC3884270 | biostudies-literature

(4-Hydroxy-methyl-1H-imidazole-κN)bis-(tri-tert-butoxy-silanethiol-ato-κO,S)cadmium(II).

Project description:The Cd(II) atom in the title compound, [Cd(C(12)H(27)O(3)SSi)(2)(C(4)H(6)N(2)O)], is penta-coordinated by two O and two S atoms from the O,S-chelating silanethiol-ate residue and one N from the 4-hydroxy-methyl-imidazole ligand and shows a strongly distorted trigonal-bipyramidal geometry. The title complex is isostructural with its zinc analog. The hydroxy group of the ligand is involved in intra-molecular O-H⋯S hydrogen bonding and also acts as an acceptor in the formation of an inter-molecular N-H⋯O hydrogen bond, which links mol-ecules of the complex into zigzag chains parallel to the b axis. One of the tert-butyl groups is disordered over two orientations with occupancies of 0.557 (12):0.443 (12).

| S-EPMC2959838 | biostudies-literature

Hexa-kis-(1H-imidazole-?N)iron(II) sulfate-1H-imidazole (1/2).

Project description:The asymmetric unit of the title compound, [Fe(C(3)H(4)N(2))(6)]SO(4)·2C(3)H(4)N(2), contains two complex cations, two sulfate anions and four imidazole mol-ecules. In both cations, the Fe(II) atom is coordinated by six monodentate imidazole ligands and exhibits a slightly distorted octa-hedral coordination geometry. The Fe-N distances [2.184?(4)-2.218?(4)?Å] point to a high-spin state of the Fe(2+) ions. N-H?O hydrogen bonds between the ionic components generate a three-dimensional framework containing corrugated channels along [001], which are filled by N-H?N hydrogen-bonded imidazole chains.

| S-EPMC3247524 | biostudies-literature

Crystal structure of bis-(1-mesityl-1H-imidazole-?N 3)di-phenyl-boron tri-fluoro-methane-sulfonate.

Project description:The solid-state structure of bis-(1-mesityl-1H-imidazole-?N 3)di-phenyl-boron tri-fluoro-methane-sulfonate, C36H38BN4 +·CF3SO3 - or (Ph2B(MesIm)2OTf), is reported. Bis(1-mesityl-1H-imidazole-?N 3)di-phenyl-boron (Ph2B(MesIm)2 + ) is a bulky ligand that crystallizes in the ortho-rhom-bic space group Pbcn. The asymmetric unit contains one Ph2B(MesIm)2 + cationic ligand and one tri-fluoro-methane-sulfonate anion that balances the positive charge of the ligand. The tetra-hedral geometry around the boron center is distorted as a result of the steric bulk of the phenyl groups. Weak inter-actions, such as ?-? stacking are present in the crystal structure.

| S-EPMC7199260 | biostudies-literature

Crystal structure of phenyl 2,4,5-tri-chloro-benzene-sulfonate.

Project description:The title compound, C12H7Cl3O3S, was synthesized via a nucleophilic substitution reaction between phenol and 2,4,5-tri-chloro-benzene-sulfonyl chloride. The two aryl rings are oriented gauche to one another around the sulfonate S-O bond, with a C-S-O-C torsion angle of -70.68?(16)°, and the two rings are inclined to one another by 72.40?(7)°. In the crystal, mol-ecules are linked via various C-Cl?? inter-actions, forming ribbons propagating along [100]. Neighboring ribbons are linked by a weak C-Cl?? inter-action, forming layers parallel to (010).

| S-EPMC4908567 | 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