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(E)-2-(2-Nitro-ethen-yl)furan.

ABSTRACT: The title compound, C(6)H(5)NO(3), was synthesized via condensation of furfural with nitro-methane in the presence of isobutyl-amine. The compound crystallizes exclusively as the E isomer. The angle between the mean planes of the furan ring and the nitro-alkenyl group is 1.3?(2)°.

SUBMITTER: Valerga P

PROVIDER: S-EPMC2977326 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

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(E)-2-(2-Nitro-ethen-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 20090725 Pt 8

The title compound, C(6)H(5)NO(3), was synthesized via condensation of furfural with nitro-methane in the presence of isobutyl-amine. The compound crystallizes exclusively as the E isomer. The angle between the mean planes of the furan ring and the nitro-alkenyl group is 1.3 (2)°. ...[more]

PMID: 21583655

Similar Datasets

A triclinic polymorph of (E)-2-(2-nitro-ethen-yl)furan.

Project description:The title compound, C(6)H(5)NO(3), crystallizes in the triclinic system with six independent mol-ecules in the asymmetric unit. In a previous study, the structure of the title compound was determined in the monoclinic P2(1)/n space group at 100?K [Valerga et al. (2009 ?). Acta Cryst. E65, o1979]. All six independent mol-ecules display an E configuration about the C=C double bond, with the dihedral angles between the planes of the furan rings and the nitro-alkenyl groups ranging from 0.61?(7) to 5.03?(7)°. The crystal structure is stabilized by inter-molecular C-H?O hydrogen-bonding inter-actions.

| S-EPMC3007394 | biostudies-literature

(E)-1-Nitro-4-(2-nitro-ethen-yl)benzene.

Project description:The asymmetric unit of the title compound, C(8)H(6)N(2)O(4), consists of two independent mol-ecules with similar geometries, each adopting a trans configuration about the olefinic double bond. The two mol-ecules are both almost planar (r.m.s. deviations = 0.034 and 0.035?Å) and form a dihedral angle of 83.62?(2)°. Short N?O contacts [2.834?(3)-2.861?(3)?Å] are observed between the nitro groups of neighbouring mol-ecules, with the O atom located directly atop the p orbital of the N atom. In the crystal, the mol-ecules are linked into a three-dimensional network by the N?O inter-actions and by C-H?O hydrogen bonds.

| S-EPMC2971267 | biostudies-literature

(E)-1-(2-Nitro-ethen-yl)naphthalene.

Project description:The title mol-ecule, C(12)H(9)NO(2), adopts a trans configuration about the olefinic double bond. The dihedral angle between the naphthalene ring system (r.m.s. deviation = 0.012?Å) and the nitro-ethenyl group (r.m.s. deviation = 0.032?Å) is 12.66?(5)°. The mol-ecules are linked into a two-dimensional network parallel to the bc plane by C-H?O hydrogen bonds. The substituted benzene rings in adjacent networks are stacked with a centroid-centroid distance of 3.6337?(11)?Å, indicating ?-? inter-actions.

| S-EPMC2970448 | biostudies-literature

(E)-2-[2-(3-Nitro-phen-yl)ethen-yl]quinolin-8-ol.

Project description:In the title compound, C17H12N2O3, the mean planes of the benzene ring and the quinoline moiety are inclined to one another by 11.0?(1)°. The nitro substituent is twisted at an angle of 7.9?(2)° with respect to the attached benzene ring. Intra-molecular O-H?N and C-H?N hydrogen bonds occur. The crystal is constructed of mol-ecular stacks without involvement of ?-stacking inter-actions, but showing inter-stack association via O-H?O and C-H?O hydrogen bonding. Thus, the supramolecular architecture of the crystal results from stacked molecules stabilized by hydrogen bonding between the stacks.

| S-EPMC3884316 | biostudies-literature

(E)-2-[2-(2-Nitro-phen-yl)ethen-yl]-8-quinolyl acetate.

Project description:The title compound, C(19)H(14)N(2)O(4), crystallizes with two molecules with very similar conformations in the asymmetric unit; the angles between the two ring systems are 8.7 (1) and 4.2 (1)°. In the crystal, inter-molecular π-π inter-actions [centroid-centroid distance 3.973 (1) Å] lead to a three-dimensional network.

| S-EPMC2970963 | biostudies-literature

1,2-Dimeth-oxy-3-[(E)-2-nitro-ethen-yl]benzene.

Project description:The title compound, C(10)H(11)NO(4), was synthesized via condensation of 2,3-dimeth-oxy-benzaldehyde with nitro-methane using microwave irradiation without solvent. The H atoms of the -CH=CH- group are in a trans configuration. The dihedral angle between the mean planes of the benzene ring and the nitro-alkenyl group is 23.90 (6)°.

| S-EPMC3007981 | biostudies-literature

2-(4-Nitro-phen-yl)-5-phenyl-furan.

Project description:The mol-ecular skeleton of the title mol-ecule, C(16)H(11)NO(3), is nearly planar with the two aromatic rings forming a dihedral angle of 2.73?(7)°. In the crystal, weak inter-molecular C-H?O hydrogen bonds link mol-ecules into ribbons extended along [101]. The crystal packing exhibits also ?-? inter-actions, as indicated by the short centroid-centroid distances between the aromatic rings [3.681?(3)?Å] and between the aromatic and furan rings [3.811?(3)?Å] of neighbouring mol-ecules.

| S-EPMC2980011 | biostudies-literature

N-(2-Nitro-phen-yl)furan-2-carboxamide.

Project description:In the title furan-carboxamide derivative, C11H8N2O4, the benzene and furan rings are rotated from the mean plane of the central fragment by 2.68?(5) and 7.03?(4)°, respectively. The nitro group forms a dihedral angle of 10.15?(5)° with the adjacent benzene ring. In the crystal, mol-ecules are linked by weak C-H?O inter-actions, forming helical chains running along [010].

| S-EPMC3790447 | biostudies-literature

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

Project description: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.

| S-EPMC2977323 | biostudies-literature

(E)-2-{[(Furan-2-ylmeth-yl)imino]-meth-yl}-4-nitro-phenol.

Project description:In the title compound, C12H10N2O4, the furan-2-ylmethyl group is disordered over two sets of sites, with refined occupancies of 0.858?(3) and 0.143?(3). In the major component of disorder, the dihedral angle between the furan and benzene rings is 63.1?(2)° and for the minor component this value is 67.9?(6)°. The planes of the nitro group and the attached benzene ring form a dihedral angle of 4.34?(17)°. In the crystal, inversion-related mol-ecules are linked by two pairs of weak C-H?O inter-actions, one involving the nitro group and the other involving the O-H group as an acceptor. As a result of these associations, ribbons are formed along [120]. A strong intra-molecular O-H?N hydrogen bond is observed.

| S-EPMC3998629 | biostudies-literature

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