Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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].

SUBMITTER: Moreno-Fuquen R

PROVIDER: S-EPMC3790447 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Moreno-Fuquen Rodolfo R Azcárate Alexis A Kennedy Alan R AR Gilmour Denise D De Almeida Santos Regina H RH

Acta crystallographica. Section E, Structure reports online 20130928 Pt 10

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]. ...[more]

PMID: 24098266

Similar Datasets

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

(E)-N-[2-(Biphenyl-4-ylvin-yl)phen-yl]furan-2-carboxamide.

Project description:In the title mol-ecule, C(25)H(19)NO(2), the furyl ring is twisted by 46.3 (1)° with respect to the phenyl-ene ring bearing the amido group. In the stilbene unit, the two phenyl-ene rings (i.e. the rings connected through the -CH=CH- fragment) are twisted by 59.2 (1)°; in the biphenyl-ene unit, the two benzene rings are twisted by 35.5 (1)°. In the crystal structure, mol-ecules are linked by an N-H⋯O(amido) hydrogen bond into a zigzag chain running along the c axis.

| S-EPMC2959517 | biostudies-literature

3-(4-Nitro-phen-yl)-N-phenyl-oxirane-2-carboxamide.

Project description:The mol-ecule of the title compound, C(15)H(12)N(2)O(4), adopts a syn conformation with the terminal benzene rings located on the same sides of the central epoxide ring. The epoxide ring makes dihedral angles of 71.08?(18) and 60.83?(17)° with the two benzene rings. Weak inter-molecular C-H?O hydrogen bonding is present in the crystal structure.

| S-EPMC2977375 | biostudies-literature

3-(4-Bromo-phen-yl)-4-[2-(4-nitro-phen-yl)hydrazin-yl]furan-2(5H)-one.

Project description:In the title compound, C(16)H(12)BrN(3)O(4), the furan-2(5H)-one ring forms a dihedral angle of 33.19 (9)° with the 4-bromo-benzene unit and is nearly perpendicular to the 4-nitro-benzene segment, making a dihedral angle of 89.93 (10)°. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules, generating an infinite chain along [010]. The chains are linked into a three-dimensional network by C-H⋯O, C-H⋯π and π-π contacts [centroid-centroid separation = 3.805 (2) Å].

| S-EPMC3247473 | biostudies-literature

2-Methyl-3-nitro-N-{(E)-[5-(4-nitro-phen-yl)furan-2-yl]methyl-idene}aniline.

Project description:In the title Schiff-base type compound, C(18)H(13)N(3)O(5), the central furan ring makes dihedral angles of 12.80?(7) and 51.43?(4)° with the terminal benzene rings. The dihedral angle between the benzene rings is 45.43?(3)°. In the crystal, C-H?O hydrogen bonds link the mol-ecules into layers parallel to (010). In addition, there are ?-? stacking inter-actions within the layer [centroid-centroid distance = 3.584?(1)?Å] and between the layers [centroid-centroid distance 3.751?(1)?Å].

| S-EPMC3435658 | biostudies-literature

N-(4-Chloro-2-nitro-phen-yl)-5-methyl-isoxazole-4-carboxamide.

Project description:In the title compound, C(11)H(8)ClN(3)O(4), the dihedral angle between benzene and isoxazole rings is 9.92 (1) °. The nitro group is almost coplanar with the benzene ring with an O-N-C-C torsion angle of 8.4 (3)°. The mol-ecular conformation is stabilized by an intra-molecular N-H⋯O hydrogen bond, closing a six-membered ring.

| S-EPMC3238979 | biostudies-literature

1-(3-Chloro-phen-yl)-2-methyl-4-nitro-1H-imidazole-5-carboxamide.

Project description:In the crystal structure of the title compound, C(11)H(9)ClN(4)O(3), pairs of N-H?N(imidazole) hydrogen bonds connect the mol-ecules into centrosymmetric dimers, which are further connected by N-H?O(carbamo-yl) hydrogen bonds into C(4) chains along [010]. Inter-play of these two kinds of hydrogen bonds connect the mol-ecules into layers perpendicular to [101]. The imidazole [maximum deviation 0.0069?(9)?Å] and phenyl rings are inclined at a dihedral angle of 58.44?(6)°; the nitro group is almost coplanar [dihedral angle 5.8?(2)°] with the imidazole ring while the carbamoyl group is almost perpendicular [70.15?(13)°] to it.

| S-EPMC3201265 | biostudies-literature

1-{(E)-[5-(2-Nitro-phen-yl)furan-2-yl]methyl-idene}-2,2-diphenyl-hydrazine.

Project description:In the title compound, C23H17N3O3, the terminal benzene rings are oriented at dihedral angles of 3.67?(7), 76.02?(7) and 16.37?(7)° with respect to the central furan ring. In the crystal, mol-ecules are connected via weak C-H?O hydrogen bonds, resulting in a three-dimensional supra-molecular array.

| S-EPMC3588390 | biostudies-literature

N'-[5-(4-Nitro-phen-yl)furan-2-yl-methyl-idene]-N,N-diphenyl-hydrazine.

Project description:The title compound, C(23)H(17)N(3)O(3), has an E configuration with respect to the C=N bond. The dihedral angle between the two phenyl rings bonded to the hydrazine group is 86.45?(13)°. The furan ring makes dihedral angles of 3.4?(2) and 7.06?(13)°, respectively, with the methyl-idenehydrazine C=N-N plane and the benzene ring.

| S-EPMC3007491 | biostudies-literature

1-{3-(4-Methyl-phen-yl)-5-[5-(2-nitro-phen-yl)furan-2-yl]-4,5-di-hydro-1H-pyrazol-1-yl}ethanone.

Project description:In the title compound, C22H19N3O4, the dihedral angle between the furan and pyrazole rings is 82.73?(19)° while the dihedral angles between the furan and pyrazole rings and their attached benzene rings are 31.93?(18) and 1.88?(18)°, respectively. In the crystal, inversion dimers linked by pairs of C-H?O hydrogen bonds generate R 2 (2)(16) loops. In addition, weak C-H?? and aromatic ?-? stacking [minimum centroid-centroid distance = 3.5374?(17)?Å] inter-actions are observed.

| S-EPMC3790397 | 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