Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(2E)-2-[(3E)-4-Phenyl-but-3-en-2-yl-idene]hydrazinecarboxamide.

ABSTRACT: In the title compound, C(11)H(13)N(3)O, the phenyl ring is disordered over two sites, with occupancy factors in a 0.520?(17):0.480?(17) ratio. The dihedral angle between the ring planes of the major and minor components of the disordered ring is 12.9?(2)°. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds, forming R(2) (2)(8) ring motifs. C-H?O, C-H?N and C-H?? inter-actions also occur.

SUBMITTER: Samshuddin S

PROVIDER: S-EPMC3254430 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(2E)-2-[(3E)-4-Phenyl-but-3-en-2-yl-idene]hydrazinecarboxamide.

Samshuddin S S Samshuddin S S Butcher Ray J RJ Yıldırım Sema Ozturk SO Akkurt Mehmet M Narayana B B Yathirajan H S HS

Acta crystallographica. Section E, Structure reports online 20111210 Pt 1

In the title compound, C(11)H(13)N(3)O, the phenyl ring is disordered over two sites, with occupancy factors in a 0.520 (17):0.480 (17) ratio. The dihedral angle between the ring planes of the major and minor components of the disordered ring is 12.9 (2)°. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds, forming R(2) (2)(8) ring motifs. C-H⋯O, C-H⋯N and C-H⋯π inter-actions also occur. ...[more]

PMID: 22259576

Similar Datasets

(2E)-2-Benzyl-idene-N-phenyl-hydrazinecarboxamide.

Project description:The mol-ecule of the title compound, C14H13N3O, adopts an E conformation with respect to the azomethine C=N bond, and is roughly planar, with an r.m.s. deviation of the non-H atoms from the least-squares plane of 0.100?(2)?Å and a dihedral angle between the terminal benzene rings of 5.74?(12)°. An intramolecular N-H?N hydrogen bond closes an S(6) ring. In the crystal, mol-ecules are linked by the pairs of N-H?O hydrogen bonds into centrosymmetric dimers. Dimers related by translation along [010] form slanted stacks, the shortest C?C inter-molecular distance within the stack being 3.283?(3)?Å. Weak C-H?? inter-actions link the stacks into a three-dimensional structure.

| S-EPMC4011198 | 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

(2E)-2-[(2-Hy-droxy-4-meth-oxy-phen-yl)(phen-yl)methyl-idene]-N-phenyl-hydrazinecarboxamide dimethyl-formamide monosolvate.

Project description:The title compound, C(21)H(19)N(3)O(3)·C(3)H(7)NO, adopts an E conformation with respect to the azomethine bond and crystallizes in the amide form. The dihedral angle between the rings lined to the C=N bond is 88.60?(12)°. The dimethyl-formamide solvent mol-ecule is disordered over two orientations with site occupancies of 0.684?(3) and 0.316?(3). The two N atoms of the hydrazinecarboxamide group are involved in inter-molecular N-H?O hydrogen bonds in which the dimethyl-formamide O atom acts as acceptor. The structure also features ?-? inter-actions, with a centroid-centroid distance of 3.6561?(13)?Å. Classical and non-classical intra-molecular O-H?N and C-H?O hydrogen bonds are also present.

| S-EPMC3344624 | 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

(2E)-2-(4-Fluoro-benzyl-idene)hydrazinecarboxamide.

Project description:In the title compound, C(8)H(8)FN(3)O, the semicarbazide group is close to being planar, with a maximum deviation of 0.020?(1)?Å, and subtends a dihedral angle of 16.63?(9)° with its attached fluoro-benzene ring. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds, forming layers lying parallel to the bc plane.

| S-EPMC3247616 | biostudies-literature

Crystal structure of 2-[(2<i>E</i>)-2-methyl-3-phenyl-prop-2-en-1-yl-idene]-<i>N</i>-phenyl-hydrazinecarboxamide.

Project description:The title compound, C17H17N3O, crystallizes with two independent mol-ecules in the asymmetric unit. The semicarbazone moieties of these independent mol-ecules (I and II) are essentially planar [maximum deviation of 0.042?(1)?Å in mol-ecule I and 0.041?(1)?Å in mol-ecule II], with the terminal phenyl rings twisted away from the mean plane of the semicarbazone moiety, making dihedral angles of 60.26?(8) and 28.76?(9)° in mol-ecule I and 31.07?(9) and 35.45?(8)° in mol-ecule II. The mol-ecules both exhibit an E configuration with respect to the C=C and azomethine C=N bonds. In the crystal, two classical N-H?O hydrogen-bonding inter-actions are present between the two mol-ecules, forming a centrosymmetric dimer, while a weak C-H?O non-classical hydrogen-bonding inter-action, with a donor-acceptor distance of 3.476?(2)?Å, inter-connects two neighbouring centrosymmetric dimers to form a cage-like structure. These cage structures are inter-connected by weak C-H?? inter-actions with an H?? distance of 2.790?Å, forming supra-molecular chains along the c-axis direction.

| S-EPMC6362643 | biostudies-literature

N'-[(1E,2E)-1-(2-Phenyl-hydrazin-1-yl-idene)-1-(phenyl-sulfon-yl)propan-2-yl-idene]benzohydrazide.

Project description:The configuration about each C=N bond in the title compound, C(22)H(20)N(4)O(3)S, is E. While to a first approximation the phenyl-hydrazin-1-yl-idene and benzohydrazide residues are coplanar, in part due to the presence of an intra-molecular N-H?N hydrogen bond, significant twists are evident in the orientations of the hydrazine [N-N-C-C torsion angle = -170.74?(11)°] and benzoyl benzene [N-C-C-C = -21.72?(18)°] rings. The sulfonyl benzene ring occupies a position almost normal to the rest of the mol-ecule [C-S-C-N = -92.28?(10)°]. Centrosymmetric aggregates mediated by pairs of hydrazide-sulfonyl N-H?O hydrogen bonds are the predominant packing motif in the crystal. These are connected into linear supra-molecular chains via C-H?O inter-actions which are, in turn, linked into layers in the ac plane via C-H?? inter-actions. Connections between layers along the b-axis direction are of the ?-? type and occur between centrosymmetrically related hydrazine-bound benzene rings [centroid-centroid separation = 3.7425?(9)?Å].

| S-EPMC3200681 | biostudies-literature

(2E)-1-Phenyl-2-[1-(2-phenyl-prop-2-en-1-yl)pyrrolidin-2-yl-idene]ethanone.

Project description:The title compound, C21H21NO, is a vinyl-ogous amide (enaminone) produced by reaction of 1-(2-phenyl-prop-2-en-1-yl)pyrrolidine-2-thione with phenacyl bromide. In the mol-ecule, the phenyl rings are twisted from the mean plane of the pyrrolidine ring by 11.2?(1) and 67.3?(1)°. In the crystal, weak C-H?O hydrogen bonds link the mol-ecules related by translation along the b axis into chains.

| S-EPMC3588828 | biostudies-other

(2E)-2-(2-Phenyl-hydrazin-1-yl-idene)propanoic acid.

Project description:The 13 non-H atoms comprising the title compound, C(9)H(10)N(2)O(2), are close to planar (r.m.s. deviation = 0.140?Å), with maximum deviations of 0.292?(1) and 0.210?(1)?Å to either side of the least-squares plane exhibited by the hy-droxy and carbonyl O atoms, respectively. The observed conformation is stabilized by an intra-molecular O-H?N hydrogen bond. The conformation about the N=C double bond [1.2909?(16)?Å] is E. The hy-droxy OH group also forms an inter-molecular hydrogen bond to a carbonyl O atom, and the amine H atom similarly forms an N-H?O hydrogen bond to a second carbonyl O atom. The result is the formation of a double layer with a flat topology. Layers stack along the a-axis direction connected by C-H?? inter-actions.

| S-EPMC3089133 | biostudies-literature

(2E)-2-[(2E)-3-Phenyl-prop-2-en-1-yl-idene]-2,3-dihydro-1H-inden-1-one.

Project description:The title indan-1-one derivative, C(18)H(14)O, is planar with an r.m.s. deviation for all 19 non-H atoms of 0.098?Å. The conformation about each of the C=C bonds [1.343?(3) and 1.349?(3)?Å] is E. Supra-molecular layers in the bc plane, mediated by C-H?O and ?-? [ring centroid-centroid distance = 3.5282?(15)?Å] inter-actions, feature in the crystal packing.

| S-EPMC3297876 | biostudies-other

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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