Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-2-(2-Nitro-prop-1-en-yl)thio-phene.

ABSTRACT: The title compound, C(7)H(7)NO(2)S, adopts an E conformation about the C=C bond. The torsion angle C=C-C-C is -177.7?(3)°. The crystal structure features weak inter-molecular by C-H?O inter-actions.

SUBMITTER: Li ZB

PROVIDER: S-EPMC3099860 | biostudies-other | 2011 Apr

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

(E)-2-(2-Nitro-prop-1-en-yl)thio-phene.

Li Zhao-Bo ZB Shen Li-Li LL Li Jia-Jia JJ

Acta crystallographica. Section E, Structure reports online 20110326 Pt 4

The title compound, C(7)H(7)NO(2)S, adopts an E conformation about the C=C bond. The torsion angle C=C-C-C is -177.7 (3)°. The crystal structure features weak inter-molecular by C-H⋯O inter-actions. ...[more]

PMID: 21754241

Similar Datasets

(2E)-1-(2,5-Dimethyl-thio-phen-3-yl)-3-(3-nitro-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(15)H(13)NO(3)S, the benzene ring and the five-membered heterocyclic ring are oriented at a dihedral angle of 12.00 (6)°. In the crystal, C-H⋯O inter-actions generate two types of cyclic motifs, R(2) (2)(14) and R(2) (2)(26), connecting the mol-ecules into tapes extending along [101]. In addition, there are π-π stacking inter-actions between the benzene and thio-phene rings with centroid-centroid distances of 3.7263 (14) and 3.7487 (14) Å.

| S-EPMC3238980 | biostudies-literature

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

N-(2-Nitro-phen-yl)thio-phene-2-carbox-amide.

Project description:The title compound, C11H8N2O3S, shows two mol-ecules per asymmetric unit, with the dihedral angles between the benzene and thio-phene rings of 13.53 (6) and 8.50 (5)° being a notable difference between them. An intra-molecular N-H⋯O hydrogen-bond in each mol-ecule generates an S(6) ring motif. The crystal packing shows no classical hydrogen bonds with the mol-ecules being packed to form weak C-H⋯O and C-H⋯S inter-actions leading to R 2 (2)(9) and R 4 (4)(25) rings which are edge-shared, giving layers parallel to (010).

| S-EPMC4011230 | 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)-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

2-Iodo-5-nitro-thio-phene.

Project description:The title compound, C(4)H(2)INO(2)S, was synthesized by nitration of iodo-thio-phene with acetyl nitrate. The molecule is essentially planar, withthe nitro group tilted by 1.78?(19)° and the iodine atom displaced by 0.0233?(2)?Å with respect to the thiophene ring. In the crystal structure, adjacent mol-ecules are linked through weak I?O inter-actions [3.039?(2)Å], forming chains extending along the b axis.

| S-EPMC2979622 | 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

Pyridinium 5-nitro-thio-phene-2-carboxyl-ate.

Project description:The anion of the title compound, C(5)H(6)N(+)·C(5)H(2)NO(4)S(-), is approximately planar, with the carboxyl-ate and nitro group planes forming dihedral angles of 7.5?(3) and 3.5?(3)°, respectively, with the thio-phene ring. In the crystal structure, the cations and anions are linked into a two-dimensional network parallel to (011) by N-H?O and C-H?O hydrogen bonds.

| S-EPMC2979441 | 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