Browse
Submit Data
Databases
API
Help

Dataset Information

22 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N'-[(2E)-3-Phenyl-prop-2-eno-yl]benzo-hydrazide.

ABSTRACT: In the title compound, C(16)H(14)N(2)O(2), the conformation about the C=C bond is E, and the two amide groups are effectively orthogonal [the C-N-N-C torsion angle is 104.5 (2)°]. In the crystal structure, the amide groups groups associate via N-H⋯O hydrogen bonding, forming supra-molecular tapes with undulating topology along the c-axis direction.

SUBMITTER: Carvalho SA

PROVIDER: S-EPMC2971955 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Crystal structure of 4-[(2E)-3-(4-meth-oxy-phen-yl)prop-2-eno-yl]phenyl benzoate.

Project description:In the title compound, C23H18O4, the meth-oxy-benzene ring and attached C=C grouping are disordered over two sets of sites in a 0.823?(5):0.177?(5) ratio. The dihedral angles between the central benzene ring and the pendant phenyl and meth-oxy-benzene ring (major orientation) are 51.21?(1) and 51.6?(1)°, respectively. In the crystal, inversion dimers linked by pairs of C-H?O hydrogen bonds generate R 2 (2)(28) loops.

| S-EPMC4186117 | biostudies-other

4-Hydr-oxy-3-[(2E)-3-(3,4,5-trimethoxy-phen-yl)prop-2-eno-yl]-2H-chromen-2-one.

Project description:A new chalcone of the coumarin, C(21)H(18)O(7), containing an annulated ?-pyrone ring, was obtained by condensation of the borate complex of ac-yl(hydr-oxy)coumarin with trimethoxy-benzaldehyde. The structure exhibits intra-molecular hydrogen bonding between the hydroxyl oxygen and the ketonic oxygen in the coumarin group. The bicyclic coumarin fragment and the benzene ring form a dihedral angle of 17.1?(4)°. The crystal packing involves dimers inter-connected by C-H?O hydrogen bonding.

| S-EPMC2969351 | biostudies-literature

(2E)-3-(2-Chloro-benzo[h]quinolin-3-yl)-1-(2-methyl-4-phenyl-quinolin-3-yl)prop-2-en-1-one.

Project description:In the title compound, C32H21ClN2O, an almost planar (r.m.s. deviation = 0.033?Å) prop-2-en-1-one bridge links quinolinyl and benzoquinolinyl residues; the latter are twisted out of the plane of the bridge [dihedral angles = 75.94?(5) and 20.20?(5)°, respectively]. In the crystal, a three-dimensional architecture arises as a result of C-H?O, C-H?? and ?-? [centroid-centroid distances involving pyridine rings = 3.5806?(7)-3.7537?(7)?Å] interactions.

| S-EPMC3884436 | biostudies-literature

(2E)-N-Methyl-2-[(2E)-3-phenyl-prop-2-en-1-yl-idene]hydrazinecarbothio-amide.

Project description:The title compound, C(11)H(13)N(3)S, is close to being planar, with a dihedral angle of 9.64?(3)° between the benzene ring and the thio-semicarbazone mean plane, maintained by the presence of ?-conjugation in the chain linking the the two systems. In the crystal, N-H?S hydrogen bonds form centrosymmetric dimers through a cyclic association [graph-set R(2) (2)(8)].

| S-EPMC3470202 | biostudies-literature

4-Hy-droxy-3-[(E)-3-phenyl-prop-2-eno-yl]-2H-chromen-2-one.

Project description:In the title mol-ecule, C(18)H(12)O(4), the phenyl ring is twisted by 23.2?(1)° from the mean plane of the chromene system. In the crystal, weak inter-molecular C-H?O hydrogen bonds link mol-ecules into zigzag chains extending in the [010] direction. An intra-molecular O-H?O hydrogen bond is also present.

| S-EPMC3213638 | biostudies-literature

(R)-1-(4-Bromo-benzo-yl)-4-(1-phenyl-prop-yl)thio-semicarbazide.

Project description:The title compound, C(17)H(18)BrN(3)OS, is an important inter-mediate for the synthesis of biologically active heterocyclic compounds. The thio-urea group is approximately planar. The crystal structure is stabilized by inter-molecular N-H⋯O hydrogen-bonding inter-actions.

| S-EPMC2961238 | biostudies-literature

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

Project description:In the title compound, C(15)H(11)ClO, the dihedral angle between the mean planes of the benzene ring and the chloro-substituted benzene ring is 48.8 (3)°. The dihedral angles between the mean plane of the prop-2-ene-1-one group and the mean planes of the 3-chloro-phenyl and benzene rings are 27.0 (4) and 27.9 (3)°, respectively. In the crystal, weak inter-molecular C-H⋯π-ring inter-actions occur.

| S-EPMC2980116 | biostudies-literature

2-[4-(2-Methyl-prop-yl)phen-yl]-N'-[(E)-1-phenyl-ethyl-idene]propane-hydrazide.

Project description:In the title compound, C(21)H(26)N(2)O, the dihedral angle between the two aromatic rings is 85.90 (19)°. The propenone-hydrazide unit forms dihedral angles of 21.62 (8) and 72.83 (9)°, respectively, with the terminal and central aromatic rings. The 2-methyl-propyl group is disordered over two sites, with occupancies of 0.533 (13) and 0.467 (13). In crystal structure, mol-ecules are linked into centrosymmetric dimers by paired N-H⋯O and C-H⋯O hydrogen bonds. In addition, C-H⋯π inter-actions are observed.

| S-EPMC2960058 | biostudies-literature

Synthesis and crystal structure of methyl 3-(3-hy-droxy-3-phenyl-prop-2-eno-yl)benzoate.

Project description:The title compound, C17H14O4, was synthesized under mild conditions and characterized by various analytical techniques. Combined NMR and X-ray diffraction data show that the substance exists exclusively in the enol tautomeric form. An intra-molecular ⋯O=C-C=C-OH⋯ hydrogen bond is present in the mol-ecular structure. The analysis of the difference density map disclosed two adjacent positions of a disordered hydrogen atom taking part in this hydrogen bond, indicating the presence of two enol tautomers in the crystal. The enol mol-ecules are assembled through numerous C-H⋯π and π-π as well as weak C(ar-yl)-H⋯O inter-actions, thus forming a dense crystal packing. The obtained substance was also studied by UV-Vis spectroscopy and cyclic voltammetry.

| S-EPMC6002825 | biostudies-literature

4-Nitro-N'-[(1E,2E)-3-phenyl-prop-2-en-1-yl-idene]benzohydrazide.

Project description:In the title mol-ecule, C(16)H(13)N(3)O(3), the benzene and phenyl rings are linked through a propenyl-idene hydrazide fragment, C-C(=O)-N(H)-N=C(H)-C(H)=C(H)-, which is fully extended with torsion angles in the range 175.4?(2)-179.9?(2)°. The dihedral angle between the the benzene and phenyl rings is 58.28?(7)°. In the crystal structure, inter-molecular N-H?O hydrogen bonds link the mol-ecules into chains along the b axis and additional stabilization is provided by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC2979035 | 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