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-4-pyridyl-1H-imidazole monohydrate.

ABSTRACT: 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.

SUBMITTER: Huang Q

PROVIDER: S-EPMC2970424 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

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

Huang Qiang Q

Acta crystallographica. Section E, Structure reports online 20090905 Pt 10

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. ...[more]

PMID: 21577800

Similar Datasets

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

Project description: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)°.

| S-EPMC2972117 | 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

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-Phenyl-4,5-di-2-pyridyl-1H-imidazole.

Project description:In the title compound, C(19)H(14)N(4), which was crystallized from dimethyl sulfoxide, the arene and heterocyclic rings of the lophine analogue framework differ only slightly from coplanarity (dihedral angles range from 8.8 to 20.2°), and intramolecular N-H?N and C-H?N interactions help to establish the conformation. The crystal packing features a number of weak C-H?N, N-H?N hydrogen-bond type contacts, and C-H?? interactions, leading to the formation of a herringbone structure.

| S-EPMC2980126 | 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

4,5-Dimethyl-1,2-diphenyl-1H-imidazole monohydrate.

Project description:In the title compound, C(17)H(16)N(2)·H(2)O, the imidazole ring is essentially planar [maximum deviation = 0.0037 (7) Å]. The imidazole ring makes dihedral angles of 80.74 (7) and 41.62 (7)° with the phenyl rings attached to the N and C atoms, respectively. The dihedral angle between the two phenyl rings is 75.83 (8)°. Inter-molecular O-H⋯N and O-H⋯O hydrogen bonds are found in the crystal structure.

| S-EPMC3007850 | 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

4-Carb-oxy-pyridin-1-ium 2,4,5-tri-carb-oxy-benzoate monohydrate.

Project description:The title hydrated salt, C6H6NO2 (+)·C10H5O8 (-)·H2O, was isolated from the 1:1 cocrystallization of benzene-1,2,4,5-tetra-carb-oxy-lic acid and isonicotinic acid in ethanol solution. In the crystal, the cation is close to planar [r.m.s. deviation = 0.085?Å for the nine fitted atoms; the C-C-C-O(carbon-yl) torsion angle = -8.7?(4)°], but twists are evident in the anion, with all but the carb-oxy-lic acid group diagonally opposite the carboxyl-ate group being significantly twisted out of the plane of the benzene ring [C-C-C-O(carbon-yl) torsion angles = -118.1?(2), -157.6?(2), 4.3?(3) and 77.3?(3)°]. In the crystal, the ions and water mol-ecules are consolidated into a three-dimensional architecture by O-H?O and N-H?O hydrogen bonding along with C-H?O inter-actions.

| S-EPMC3770392 | biostudies-literature

2,9-Dimethyl-1,10-phenanthrolin-1-ium 2,4,5-tri-carb-oxy-benzoate monohydrate.

Project description:In the preparation of the title hydrated salt, C14H13N2 (+)·C10H5O8 (-)·H2O, a proton has been transfered to the 2,9-dimethyl-1,10-phenanthrolinium cation, forming a 2,4,5-tri-carb-oxy-benzoate anion. In the anion, the mean planes of the protonated carboxyl-ate groups form dihedral angles of 11.0?(5), 4.4?(5) and 80.3?(4)° with the benzene ring to which they are attached. The mean plane of the deprotonated carboxyl-ate group forms a dihedral angle of 10.6?(5)° with the benzene ring. In the crystal, the anions are involved in carb-oxy-lic acid O-H?Ocarbox-yl hydrogen bonds, generating a two-dimensional network parallel to (001) containing R 4 (4)(28) and R 4 (4)(32) motifs. The 2,9-dimethyl-1,10-phenanthrolinium cations and water mol-ecules reside between the anion layers and are connected to the anions via N-H?Owater and Owater-H?Ocarbox-yl hydrogen bonds. An intra-molecular O-H?O hydrogen bond is also observed in the anion.

| S-EPMC3885051 | biostudies-literature

2-Ethyl-1H-imidazole-4-carboxyl-ate monohydrate.

Project description:In the title compound, C(7)H(8)N(2)O(4)·H(2)O, the imidazole N atom is protonated and one of the carboxyl-ate groups is deprontonated, forming a zwitterion. The two carboxyl groups are are approximately coplanar with the imidazole ring [O-C-C-C torsion angles = -176.8?(2) and 2.9?(4)° for one group and -4.6?(3) and 176.4?(2)° for the other] and have an intra-molecular O-H?O hydrogen bond between them. The water mol-ecule is linked to the organic mol-ecules via an N-H?O hydrogen bonds. Inter-molecular O-H?O and N-H?O hydrogen bonds are found in the crystal structure.

| S-EPMC3100020 | 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