Browse
Submit Data
Databases
API
Help

Dataset Information

21 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(2E)-2-(3-Eth-oxy-2-hy-droxy-benzyl-idene)hydrazinecarboxamide.

ABSTRACT: The title compound, C10H13N3O3, adopts an E conformation with respect to the azomethine bond and crystallizes in the amide form. A classical intra-molecular O-H?N hydrogen bond is present. The two N atoms of the hydrazinecarboxamide unit are also involved in inter-molecular N-H?O hydrogen bonds, with the O atom of the hydrazinecarboxamide group acting as the acceptor. Pairs of N-H?O hydrogen bond link the mol-ecules into centrosymmetric dimers, which are linked by further N-H?O hydrogen bonds into chains along the b axis. The chains are linked by C-H?? inter-actions.

SUBMITTER: Aravindakshan AA

PROVIDER: S-EPMC3629631 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(2E)-2-(3-Eth-oxy-2-hy-droxy-benzyl-idene)hydrazinecarboxamide.

Aravindakshan A Ambili AA Sithambaresan M M Kurup M R Prathapachandra MR

Acta crystallographica. Section E, Structure reports online 20130323 Pt 4

The title compound, C10H13N3O3, adopts an E conformation with respect to the azomethine bond and crystallizes in the amide form. A classical intra-molecular O-H⋯N hydrogen bond is present. The two N atoms of the hydrazinecarboxamide unit are also involved in inter-molecular N-H⋯O hydrogen bonds, with the O atom of the hydrazinecarboxamide group acting as the acceptor. Pairs of N-H⋯O hydrogen bond link the mol-ecules into centrosymmetric dimers, which are linked by further N-H⋯O hydrogen bonds in ...[more]

PMID: 23634118

Similar Datasets

(2E)-2-(4-Hy-droxy-3-meth-oxy-benzyl-idene)hydrazinecarboxamide.

Project description:In the title compound, C(9)H(11)N(3)O(3), two mol-ecules are present in the asymmetric unit in which the 4-hy-droxy-3-meth-oxy-benzaldehyde and hydrazinecarboxamide units are almost planar [with r.m.s. deviations 0.0212 and 0.0066?Å, respectively, in one mol-ecule and 0.0346 and 0.0095?Å, respectively, in the other] and are oriented at dihedral angles of 9.7?(3) and 16.6?(3)°. In both mol-ecules, two S(5) ring motifs are present due to N-H?N and O-H?O hydrogen bonds. In the crystal, the mol-ecules are dimerized with each other due to pairs of N-H?O hydrogen bonds, forming an R(2) (2)(8) ring motif. O-H?O hydrogen bonds lead to the formation of a three-dimensional network.

| S-EPMC3393335 | biostudies-literature

(E)-2-(4-Hy-droxy-3-meth-oxy-benzyl-idene)hydrazinecarboxamide.

Project description:The asymmetric unit of the title compound, C(9)H(11)N(3)O(3), consists of two crystallographically independent mol-ecules. Both mol-ecules are almost planar, with r.m.s. deviations of 0.107 and 0.099 Å. In the crystal, the two independent mol-ecules form a dimer with an R(2) (2)(8) ring motif via N-H⋯O hydrogen bonds. The dimers are further linked into a three-dimensional network by O-H⋯O and N-H⋯O hydrogen bonds.

| S-EPMC3151979 | biostudies-literature

N'-(3-Eth-oxy-2-hy-droxy-benzyl-idene)-2-hy-droxy-3-methyl-benzohydrazide.

Project description:The title compound, C(17)H(18)N(2)O(4), crystallizes with two independent mol-ecules in the asymmetric unit. The two benzene rings in each mol-ecule make dihedral angles of 7.6?(3) and 3.9?(3)°. Intra-molecular O-H?N and O-H?O hydrogen bonds are present in each mol-ecule. In the crystal, N-H?O hydrogen bonds link the mol-ecules into chains propagating in [010]. The are also a number of C-H?O and ?-? inter-actions present [centroid-centroid distances = 3.874?(4) and 3.904?(3)?Å], that result in the formation of a three-dimensional network.

| S-EPMC3275245 | biostudies-literature

(E)-N'-(4-Eth-oxy-benzyl-idene)-4-hy-droxy-benzohydrazide dihydrate.

Project description:The benzohydrazide mol-ecule of the title compound, C(16)H(16)N(2)O(3)·2H(2)O, exists in a trans conformation with respect to the C=N double bond. The central O=C-NH-N=C plane [r.m.s. deviation of 0.0165?(1)?Å for the five non-H atoms] makes dihedral angles of 6.04?(8) and 2.38?(8)°, respectively, with the hy-droxy- and eth-oxy-substituted benzene rings. The dihedral angle between these benzene rings is 3.82?(7)°. The eth-oxy group is almost coplanar with the attached benzene ring with a C-O-C-C torsion angle of -176.58?(11)°. In the crystal, the benzohydrazide and water mol-ecules are linked by N-H?O, O-H?O , O-H?N and C-H?O hydrogen bonds into a three-dimensional network.

| S-EPMC3379254 | biostudies-literature

(E)-1-(3-Eth-oxy-2-hy-droxy-benzyl-idene)thio-semicarbazide.

Project description:The title compound, C(10)H(13)N(3)O(2)S, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. In the crystal, the A and B mol-ecules are linked via pairs of N-H?O and O-H?S hydrogen bonds, forming dimers with R(2) (2)(14) and R(2) (2)(6) ring motifs. These dimers are linked via a pair of N-H?S hydrogen bonds with an R(2) (2)(8) ring motif, forming chains propagating along the c-axis direction. The crystal was refined as an inversion twin with a final BASF ratio of 0.54?(11):0.46?(11).

| S-EPMC3275025 | biostudies-literature

3-Chloro-N'-(3-eth-oxy-2-hy-droxy-benzyl-idene)benzohydrazide monohydrate.

Project description:In the title compound, C(16)H(15)ClN(2)O(3)·H(2)O, the water mol-ecule is linked to the Schiff base mol-ecule via an O-H?O hydrogen bond. In the Schiff base mol-ecule, an intramolecular O-H?N hydrogen bond occurs and the dihedral angle between the two benzene rings is 20.5?(5)°. In the crystal, the Schiff base and water mol-ecules are linked by inter-molecular N-H?O and O-H?O hydrogen bonds, forming layers in the ab plane.

| S-EPMC3051784 | biostudies-literature

(E)-3-[(3-Eth-oxy-2-hy-droxy-benzyl-idene)amino]-benzoic acid.

Project description:In the title compound, C(16)H(15)NO(4), a potential bidentate N,O-donor Schiff base ligand, the benzene rings are inclined to one another by 4.24 (12)°. The mol-ecule has an E conformation about the C=N bond. An intra-molecular O-H⋯N hydrogen bond makes an S(6) ring motif. In the crystal, pairs of O-H⋯O hydrogen bonds link the mol-ecules, forming inversion dimers with R(2) (2)(8) ring motifs. These dimers are further connected by C-H⋯O inter-actions, forming a sheet in (104). There is also a C-H⋯π inter-action present involving neighbouring mol-ecules.

| S-EPMC3343997 | biostudies-literature

2-[(E)-4-Diethyl-amino-2-hy-droxy-benzyl-idene]hydrazinecarboxamide.

Project description:Two mol-ecules make up the asymmetric unit of the title compound, C(12)H(18)N(4)O(2), and both feature an intra-molecular O-H?N hydrogen bond, which generates an S(6) ring. The diethyl-amino group of one of the mol-ecules is disordered over two sets of sites in a 0.59?(2):0.41?(2) ratio. In the crystal, N-H?O hydrogen bonds link the mol-ecules into sheets lying parallel to the ac plane and C-H?? inter-actions are also observed.

| S-EPMC3275058 | biostudies-literature

(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)-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

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