Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Affan MA

PROVIDER: S-EPMC3089133 | biostudies-literature | 2011 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Affan Md Abu MA Salam M A MA Siew Eleazar Veronica EV Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20110416 Pt 5

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 carbo ...[more]

PMID: 21754470

Similar Datasets

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)-4-(4-Bromo-phen-yl)-2-{2-[(1E)-cyclo-pentyl-idene]hydrazin-1-yl-idene}-3-phenyl-2,3-di-hydro-1,3-thia-zole.

Project description:In the title compound, C20H18BrN3S, the cyclo-pentane ring adopts a half-chair conformation. The 4-bromo-phenyl and phenyl rings make dihedral angles of 34.6?(1) and 68.52?(6)°, respectively, with the di-hydro-thia-zole ring. In the crystal, the mol-ecules pack in sheets approximately parallel to (101) which are formed by weak C-H?Br inter-actions.

| S-EPMC4051030 | biostudies-literature

(1E,2E)-1,2-Bis(2,2-diphenyl-hydrazin-1-yl-idene)ethane.

Project description:In the crystal structure of the title compound, C(26)H(22)N(4), the mol-ecule is located on an inversion centre and shows an E configuration with respect to each C=N bond. The dihedral angle between the phenyl rings in the diphenyl-hydrazone group is 83.69 (11)°. These two rings make dihedral angles of 30.53 (15) and 84.53 (16)° with the central N-N=C-C=N-N dihydrazonoethane plane. Inter-molecular C-H⋯π inter-actions are observed.

| S-EPMC3007945 | biostudies-literature

(2E)-2-[2-(Cyclo-hexyl-carbamothio-yl)hydrazinylidene]-propanoic acid.

Project description:In the title thio-urea derivative, C(10)H(17)N(3)O(2)S, the carboxyl group and the least-squares plane through the cyclo-hexyl ring are twisted out of the plane through the central CN(3)S residue; the respective dihedral angles are 7.18?(8) and 62.29?(4)°. The conformation about the azomethine bond [1.275?(2)?Å] is E. The NH groups are anti, with one forming an intra-molecular N-H?N hydrogen bond. The main feature of the crystal structure is the formation of linear supra-molecular chains along [110] mediated by alternating pairs of O-H?O and pairs of N-H?S hydrogen bonds.

| S-EPMC3089072 | biostudies-literature

4-[(2E)-2-(2-Hy-droxy-benzyl-idene)hydrazin-1-yl]benzonitrile.

Project description:The asymmetric unit of the title Schiff base, C(14)H(11)N(3)O, contains two independent mol-ecules which have similar conformations. The dihedral angles between the benzene rings are 4.19?(9) and 14.18?(9)° in the two mol-ecules. An intra-molecular O-H?N hydrogen bond stabilizes the mol-ecular conformation of each mol-ecules. The crystal packing is dominated by pairs of equivalent N-H?N and C-H?O hydrogen bonds which arrange the mol-ecules into layers parallel to (-111).

| S-EPMC3470239 | biostudies-literature

(E)-1-Phenyl-2-({5-[(1E)-(2-phenyl-hydrazin-1-yl-idene)meth-yl]-2-thien-yl}methyl-idene)hydrazine.

Project description:The title mol-ecule, C(18)H(16)N(4)S, adopts a U-shape with the aromatic groups lying syn and orientated in the same direction as the thio-phene S atom. The conformation about each of the C=N bonds is E. Overall, the mol-ecule is curved as seen in the dihedral angle of 30.26 (19)° formed between the terminal benzene rings. In the crystal, supra-molecular chains along the c axis are formed by a combination of N-H⋯N hydrogen bonds and N-H⋯π inter-actions.

| S-EPMC2983505 | biostudies-literature

(2E)-2-[2-(4-Chloro-phen-yl)hydrazin-1-yl-idene]-4,4,4-trifluoro-3-oxobutanal.

Project description:The title compound, C(10)H(6)ClF(3)N(2)O(2), was synthesized by coupling 4-dimethyl-amino-1,1,1-trifluoro-but-3-en-2-one with 4-chloro-benzene-diazo-nium chloride. It crystallizes with two mol-ecules in the asymmetric unit, which form two similar centrosymmetric dimers via hydrogen bonds. Extensive electron delocalization and intra-molecular N-H⋯O hydrogen bonds are responsible for a planar conformation of the mol-ecules (maximum deviations = 0.010 and -0.015 Å for the two molecules). In addition to hydrogen bonds, π-π stacking inter-actions with centroid-centroid distances of 3.604 (2) and 3.583 (2) Å contribute to the stability of the crystal structure.

| S-EPMC3007078 | biostudies-literature

3-[(2E)-2-(Butan-2-yl-idene)hydrazin-yl]-6-chloro-pyridazine.

Project description:The asymmetric unit of the title compound, C(8)H(11)ClN(4), contains two independent mol-ecules (A and B) with slightly different conformations: the dihedral angles between the 3-chloro-6-hydrazinylpyridazine units and butyl side chains are 4.5?(2) and 11.98?(16)°. In the crystal, the A and B mol-ecules are linked by a pair of N-H?N hydogen bonds, generating an R(2) (2)(8) loop.

| S-EPMC2983409 | biostudies-other

(1Z,2E)-N'-{1-[2-(4-Bromo-phen-yl)hydrazin-1-yl-idene]-1-chloro-propan-2-yl-idene}thio-phene-2-carbohydrazide.

Project description:In the title compound, C(14)H(12)BrClN(4)OS, the thienyl ring is disordered over two orientations with a site-occupancy ratio of 0.853 (2):0.147 (2). The mol-ecule is roughly planar, with the dihedral angles between the thienyl and benzene rings being 6.24 (16) and 9.7 (11)° for the major and minor components, respectively. The central fragment is almost planar [r.m.s. deviation = 0.0275 (2) Å for the ten non-H atoms]. The mean plane through this middle unit makes a dihedral angle of 2.71 (7)° with the benzene ring, whereas these values are 4.46 (15) and 7.7 (11)° for the major and minor components of the thienyl ring, respectively. In the crystal, mol-ecules are linked into dimers by pairs of N-H⋯O hydrogen bonds, forming R(2) (2)(8) ring motifs. These dimers are arranged into sheets parallel to the ac plane.

| S-EPMC3344617 | 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

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