Browse
Submit Data
Databases
API
Help

Dataset Information

12 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-3-(9-Anthr-yl)-1-(4-fluoro-phen-yl)-2-(4-nitro-1H-imidazol-1-yl)prop-2-en-1-one.

ABSTRACT: In the title compound, C(26)H(16)FN(3)O(3), the dihedral angle between the anthryl and fluoro-phenyl groups is 37.8?(1)°. With respect to the imidazolyl group, the twist angles between the imidazolyl group and the anthryl unit and between the imidazoly group and the fluoro-phenyl group are 64.4?(1) and 74.5?(1)°, respectively.

SUBMITTER: Wang XL

PROVIDER: S-EPMC2979695 | biostudies-literature | 2010 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-3-(9-Anthr-yl)-1-(4-fluoro-phen-yl)-2-(4-nitro-1H-imidazol-1-yl)prop-2-en-1-one.

Wang Xiao-Ling XL Wang Guang-Zhou GZ Geng Rong-Xia RX Zhou Cheng-He CH

Acta crystallographica. Section E, Structure reports online 20100109 Pt 2

In the title compound, C(26)H(16)FN(3)O(3), the dihedral angle between the anthryl and fluoro-phenyl groups is 37.8 (1)°. With respect to the imidazolyl group, the twist angles between the imidazolyl group and the anthryl unit and between the imidazoly group and the fluoro-phenyl group are 64.4 (1) and 74.5 (1)°, respectively. ...[more]

PMID: 21579750

Similar Datasets

(Z)-3-(9-Anthr-yl)-1-(4-bromo-phen-yl)-2-(4-nitro-1H-imidazol-1-yl)prop-2-en-1-one.

Project description:In the title mol-ecule, C(26)H(16)BrN(3)O(3), the anthracene and benzene mean planes make dihedral angles of 63.79?(2) and 14.67?(2)°, respectively, with the plane of the imidazole ring. In the crystal structure, weak inter-molecular C-H?O hydrogen bonds link mol-ecules to form centrosymmetric dimers. Weak ?-? stacking inter-actions, with centroid-centroid distances of 3.779?(2) and 3.826?(2)?Å, supply additional stabilization. The crystal packing also exhibits short inter-molecular contacts between the nitro groups and Br atoms [Br?O = 3.114?(2)?Å].

| S-EPMC2969633 | biostudies-literature

(Z)-3-(9-Anthr-yl)-2-(4-nitro-1H-imidazol-1-yl)-1-p-tolyl-prop-2-en-1-one.

Project description:In the title mol-ecule, C(27)H(19)N(3)O(3), the imidazole and benzene rings make dihedral angles of 64.72?(4) and 64.02?(4)°, respectively, with the anthracene ring system (r.m.s. deviation = 0.043?Å). The nitro group is coplanar with the imidazole ring [dihedral angle = 1.1?(1)°]. The crystal packing is stabilized by weak ?-? inter-actions with centroid-centroid distances of 3.7342?(10) and 3.7627?(9)?Å.

| S-EPMC2971385 | biostudies-literature

(E)-3-(4-Fluoro-phen-yl)-1-(2-nitro-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(15)H(10)F(N)O(3), was prepared from 2-nitro-acetphenone and 4-fluoro-benzaldehyde by an Aldol condensation reaction. The dihedral angle formed by the two benzene rings is 67.37?(2)°. The crystal structure is stabilized by weak inter-molecular C-H?O and C-H?F hydrogen bonds.

| S-EPMC2979392 | biostudies-literature

(Z)-3-(9-Anthryl)-1-(4-chloro-phen-yl)-2-(4-nitro-1H-imidazol-1-yl)prop-2-en-1-one.

Project description:In the title compound, C(26)H(16)ClN(3)O(3), the dihedral angle between the anthracene mean plane and imidazole ring is 64.75?(2)°. In the crystal, ?-? inter-actions between anthracene fragments lead to the formation of stacks of mol-ecules propagating in [100]. The short distance between the carbonyl groups of symmetry-related molecules [C?O = 2.985?(2)?Å] indicates the existence of dipole-dipole inter-actions. The crystal packing also exhibits short inter-molecular contacts between the nitro groups and Cl atoms [Cl?O = 3.181?(2)?Å].

| S-EPMC2977789 | biostudies-literature

(E)-3-(9-Anthr-yl)-1-(4-chloro-phen-yl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one.

Project description:In the title compound, C(25)H(16)ClN(3)O, the anthryl and chloro-phenyl substituents are on opposite sides of the triazole ring. The anthryl and benzene mean planes are aligned at 83.35 (2) and 89.09 (2)°, respectively, with respect to the triazole ring.

| S-EPMC2971099 | biostudies-literature

(E)-3-(9-Anthr-yl)-1-(4-fluoro-phen-yl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one.

Project description:The C=C double-bond in the title compound, C(25)H(16)FN(3)O, has an E configuration. The dihedral angle between the fluoro-phenyl and triazole rings is 80.57?(2)°.

| S-EPMC2971274 | biostudies-other

(Z)-3-(9-Anthr-yl)-1-(4-methoxy-phen-yl)prop-2-en-1-one.

Project description:The title chalcone derivative, C(24)H(18)O(2), which consists of the substituted 4-methoxy-phenyl and anthracene rings bridged by the prop-2-en-1-one unit, exists in a cis configuration. The mol-ecule is twisted, the inter-planar angle between the benzene and anthracene rings being 69.50?(10)°. The meth-oxy group is coplanar with the attached benzene ring [C-O-C-C angle = 2.9?(3)°]. In the crystal structure, mol-ecules are linked into chains along the a axis by a weak C-H?O(enone) inter-action. The chains are stacked along the c axis. A C-H?? inter-action involving the benzene ring is observed.

| S-EPMC2971453 | biostudies-literature

(2E)-3-(2-Fluoro-phen-yl)-1-(4-fluoro-phen-yl)prop-2-en-1-one.

Project description:In the title compouund, C(15)H(10)F(2)O, the mol-ecule exists in an E conformation with respect to the C=C bond [1.3382?(16)?Å]. The dihedral angle between the fluoro-substituted benzene rings is 6.80?(6)° and the whole mol-ecule is roughly planar (r.m.s. deviation for the non-H atoms = 0.069?Å). In the crystal, mol-ecules are linked by C-H?F and C-H?O inter-actions into sheets lying parallel to the bc plane.

| S-EPMC3435684 | biostudies-literature

(Z)-1-(2,4-Difluoro-phen-yl)-3-(4-fluoro-phen-yl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one.

Project description:In the title mol-ecule, C(17)H(10)F(3)N(3)O, the C=C bond connecting the triazole ring and 4-fluoro-phenyl groups adopts a Z conformation. The triazole ring forms dihedral angles of 15.3?(1) and 63.5?(1)°, with the 2,4-difluoro-substituted and 4-fluoro-substituted benzene rings, respectively. The dihedral angle between the two benzene rings is 51.8?(1)°.

| S-EPMC3344134 | biostudies-literature

3-(4-Fluoro-phen-yl)-1-(4-methoxy-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(16)H(13)FO(2), was prepared from 4-methoxy-hypnone and 4-fluoro-benzophenone by Claisen-Schmidt condensation. All the bond lengths and bond angles are in normal ranges. The dihedral angle formed by the two benzene rings is 33.49?(2)°. The crystal packing is stabilized by inter-molecular C-H?O hydrogen-bonding inter-actions.

| S-EPMC2969700 | 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