Browse
Submit Data
Databases
API
Help

Dataset Information

10 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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].

SUBMITTER: Wang ST

PROVIDER: S-EPMC3254476 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Wang Shen-Tang ST Che Guang-Bo GB Liu Chun-Bo CB Wang Xing X Liu Ling L

Acta crystallographica. Section E, Structure reports online 20111214 Pt 1

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]. ...[more]

PMID: 22259418

Similar Datasets

2,4,5-Tris(pyridin-4-yl)-4,5-dihydro-1,3-oxazole.

Project description:In the title compound, C(18)H(14)N(4)O, the mol-ecules are disordered about a crystallographic twofold axis, leading to 50:50 disorder of the O- and N-atom sites within the oxazole ring. As a consequence, symmetry-related oxazole C-N and C-O bonds are averaged. The oxazole ring makes a dihedral angle of 6.920?(1)° with the pyridyl ring in the 2-position and 60.960?(2)° with the pyridyl rings in the 4- and 5-positions.

| S-EPMC3379436 | biostudies-literature

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

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-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

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-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

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

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

2-(2,4-Di-fluoro-phen-yl)-4,5-dimethyl-1-(4-methyl-phen-yl)-1H-imidazole monohydrate.

Project description:The asymmetric unit of the title compound, C18H16F2N2·H2O, contains two independent mol-ecules (A and B), and two independent water mol-ecules of crystallization. In mol-ecule A, the imidazole ring makes dihedral angles of 47.46?(7) and 60.98?(6)° with the 2,4-di-fluoro-phenyl and methyl-phenyl rings, respectively. The corresponding angles in mol-ecule B are 45.85?(7) and 62.78?(7)°, respectively. The dihedral angle between the two benzene rings is 64.98?(7)° in mol-ecule A and 65.53?(7)° in mol-ecule B. In the crystal, the two independent mol-ecules are linked by O-H?N and O-H?O hydrogen bonds, forming chains propagating along [100]. These chains are linked via C-H?F hydrogen bonds, forming slab-like two-dimensional networks lying parallel to (001).

| S-EPMC3884277 | biostudies-literature

2,4,5-Tris(biphenyl-2-yl)-1-bromo-benzene.

Project description:In the title compound, C(42)H(29)Br, the dihedral angles between the central benzene ring and the three attached benzene rings are very similar, lying in the range 52.65?(6)-57.20?(7)°. Of the dihedral angles between the rings of the o-biphenyl substituents, two are similar [46.34?(7) and 47.35?(7)°], while the other differs significantly [64.17?(7)°]. In the crystal, mol-ecules are linked into centrosymmetric dimers by two weak C-H?? inter-actions.

| S-EPMC3213533 | biostudies-literature

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