Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-2-(2-Nitro-prop-1-en-yl)furan.

ABSTRACT: Crystals of the title compound, C(7)H(7)NO(3), under Mo K? radiation sublime in less than 1h at room temperature. However, it was possible to collect data at 100K. It crystallized as the E isomer only. A double-bond conjugation in the furan ring is extended to the nitro-alkenyl group. Mol-ecular associations were realized in the crystal through N?? [3.545?(2)?Å] inter-actions involving the furan ring and C-H?O hydrogen bonds.

SUBMITTER: Valerga P

PROVIDER: S-EPMC2977323 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-2-(2-Nitro-prop-1-en-yl)furan.

Valerga Pedro P Puerta M Carmen MC Rodríguez Negrín Zenaida Z Castañedo Cancio Nilo N Palma Lovillo Miguel M

Acta crystallographica. Section E, Structure reports online 20090731 Pt 8

Crystals of the title compound, C(7)H(7)NO(3), under Mo Kα radiation sublime in less than 1h at room temperature. However, it was possible to collect data at 100K. It crystallized as the E isomer only. A double-bond conjugation in the furan ring is extended to the nitro-alkenyl group. Mol-ecular associations were realized in the crystal through N⋯π [3.545 (2) Å] inter-actions involving the furan ring and C-H⋯O hydrogen bonds. ...[more]

PMID: 21583722

Similar Datasets

1-Nitro-4-(2-nitro-prop-1-en-yl)benzene.

Project description:The asymmetric unit of the title compound, C(9)H(8)N(2)O(4), contains two crystallographically independent mol-ecules, both of which adopt an E configuration about the C=C bond. In the crystal, the mol-ecules stack into columns along the c axis through π-π inter-actions, with centroid-centroid distances of 3.695 (3) and 3.804 (3) Å. The columns are further connected into a three-dimensional network by C-H⋯O hydrogen bonds.

| S-EPMC3007014 | biostudies-literature

(E)-1-Nitro-2-(2-nitro-prop-1-en-yl)benzene.

Project description:The title compound, C(9)H(8)N(2)O(4), adopts an E conformation about the C=C bond. The CH(phen-yl)-C(phen-yl)-CH-C(-NO(2)) torsion angle is -57.7?(3)°. The crystal structure features weak inter-molecular C-H?O inter-actions.

| S-EPMC3414292 | biostudies-literature

(E)-1-Bromo-4-(2-nitro-prop-1-en-yl)benzene.

Project description:The title compound, C(9)H(8)BrNO(2), which was synthesized by the condensation of 4-bromo-benzaldehyde with nitro-ethane, possesses a trans configuration. The dihedral angle between the benzene ring and the mean plane of the double bond is 7.31 (3)°. The crystal structure is stabilized by short inter-molecular Br⋯O contacts [3.168 (4) Å].

| S-EPMC2971981 | biostudies-literature

1-Methyl-4-[(1E)-2-nitro-prop-1-en-1-yl]benzene.

Project description:The title compound, C(10)H(11)NO(2), adopts an E conformation about the C=C bond. The C=C-C=C torsion angle is 32.5?(3)°. The crystal structure features weak inter-molecular C-H?O inter-actions.

| S-EPMC3393329 | biostudies-literature

(E)-5-(2-Nitro-prop-1-en-yl)-2,3-dihydro-1-benzofuran.

Project description:The asymmetric unit of the title compound, C(11)H(11)NO(3), contains two crystallographically independent mol-ecules. The aromatic rings are oriented at a dihedral angle of 56.17?(5)°. The furan rings adopt envelope conformations. Intra-molecular C-H?N inter-actions results in the formation of two six-membered rings with twisted conformations. In the crystal structure, three weak C-H?? inter-actions are found.

| S-EPMC2969479 | biostudies-literature

(E)-3-(Furan-2-yl)-1-(4-meth-oxy-phen-yl)prop-2-en-1-one.

Project description:In the title mol-ecule, C(14)H(12)O(3), the prop-2-en-1-one unit forms dihedral angles of 12.96 (5) and 7.89 (7)° with the 4-meth-oxy-phenyl group and the furan ring, respectively. The furan and benzene rings form a dihedral angle of 8.56 (5)°. In the crystal, C-H⋯π and π-π inter-actions are observed between the benzene and heterocyclic rings [centroid-centroid distance = 3.760 (1) Å].

| S-EPMC3238853 | biostudies-literature

3,3-Bis(methyl-sulfan-yl)-1-(4-nitro-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C11H11NO3S2, the S-Csp (2) bonds are shorter [1.746 (3) and 1.750 (2) Å] than the S-CH3 bonds [1.794 (3) and 1.806 (3) Å], which we attribute to d-π inter-actions between the S atoms and the C=C bond. The 1,1-bis-(methyl-sulfan-yl)-3-oxo-propyl-ene fragment and the 4-nitro-phenyl group are both almost planar, with the largest deviations from their mean planes being 0.053 (1) and 0.017 (2) Å, respectively. The dihedral angle between the two planes is 35.07 (7)°. Mol-ecules in the crystal are linked into a three-dimensional network by C-H⋯S and C-H⋯O hydrogen bonds.

| S-EPMC3772470 | biostudies-literature

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

Project description:In the title compound, [Fe(C(5)H(5))(C(14)H(10)NO(3))], one cyclo-penta-diene ring is substituted and one is unsubstituted. The two rings are almost parallel and are eclipsed and ordered. The conjugated substituent is slightly twisted with respect to the cyclo-penta-diene ring. The crystal structure contains four inter-molecular C-H?O hydrogen-bonds in the range 3.324?(3)-3.539?(3)?Å and one ?(aryl ring)-? (Cp ring) stacking inter-action with a ring-centroid distance of 3.894?(2)?Å.

| S-EPMC2959240 | biostudies-literature

(E)-1-(4-Nitro-phen-yl)-3-phenyl-prop-2-en-1-one.

Project description:In the title compound, C(15)H(11)NO(3), the configuration of the keto group with respect to the olefinic double bond is s-cis. The two benzene rings form a dihedral angle of 5.00?(5)°. The mol-ecules are linked into a two-dimensional network parallel to (04) by C-H?O hydrogen bonds.

| S-EPMC2970181 | 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

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