Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of 2-(2,3-di-methyl-anilino)-N'-[(1E)-2-hy-droxy-benzyl-idene]benzohydrazide.

ABSTRACT: The asymmetric unit of the title compound, C22H21N3O2, consists of two independent mol-ecules (A and B) having differing conformations. The differences mainly concern the dihedral angles which the hy-droxy-phenyl and di-methyl-phenyl rings subtend to the central phenyl-ene ring, these being 30.16 (6) and 58.60 (6)° in mol-ecule A and 13.42 (7) and 60.31 (7)° in B. With the exception of the dimethyphenyl substituent, the conformations of the rest of each mol-ecule are largely determined by intra-molecular O-H⋯N and N-H⋯O hydrogen bonds. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into chains extending parallel to the a axis in which the types of mol-ecules alternate in an …A…B…A…B… fashion.

SUBMITTER: Mohamed SK

PROVIDER: S-EPMC4719921 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

2-Hy-droxy-N'-(4-hy-droxy-benzyl-idene)-3-methyl-benzohydrazide.

Project description:The title compound, C(15)H(14)N(2)O(3), was prepared by condensing 4-hy-droxy-benzaldehyde and 2-hy-droxy-3-methyl-benzo-hydra-zide in methanol. The two benzene rings make a dihedral angle of 19.03 (11)°. An intra-molecular O-H⋯O hydrogen bond is observed. The crystal structure is stabilized by inter-molecular O-H⋯O and N-H⋯O hydrogen bonds and C-H⋯O inter-actions, which lead to the formation of a three-dimensional network.

| S-EPMC3274990 | biostudies-literature

N'-(4-Hy-droxy-benzyl-idene)-2-methyl-benzohydrazide.

Project description:The title hydrazone compound, C(15)H(14)N(2)O(2), was prepared by the condensation of 4-hy-droxy-benzaldehyde with 2-methyl-benzohydrazide in methanol. The dihedral angle between the two benzene rings is 42.3?(2)°. In the crystal structure, mol-ecules are linked by inter-molecular O-H?O, O-H?N and N-H?O hydrogen bonds, forming a three-dimensional framework.

| S-EPMC2983165 | biostudies-literature

N'-(2-Hy-droxy-benzyl-idene)-3-methyl-benzohydrazide.

Project description:The title compound, C(15)H(14)N(2)O(2), is the product of the reaction of 2-hy-droxy-benzaldehyde and 3-methyl-benzo-hydrazide. The dihedral angle between the substituted benzene rings is 19.5 (3)° and an intra-molecular O-H⋯N hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds to generate C(4) chains propagating in [001] and C-H⋯O inter-actions to the same O-atom acceptor reinforce the chains.

| S-EPMC3239072 | biostudies-literature

2-Hy-droxy-N'-(5-hy-droxy-2-nitro-benzyl-idene)-3-methyl-benzohydrazide.

Project description:The title compound, C(15)H(13)N(3)O(5), was prepared by condensing 5-hy-droxy-2-nitro-benzaldehyde and 2-hy-droxy-3-methyl-benzohydrazide in methanol. The two benzene rings make a dihedral angle of 3.9?(3)°. An intra-molecular O-H?O hydrogen bond is observed. The crystal structure is stabilized by inter-molecular O-H?O and N-H?O hydrogen bonds, and C-H?O and ?-? inter-actions [centroid-centroid distances = 3.5658?(17)-3.9287?(19)?Å].

| S-EPMC3297290 | 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

N'-(2-Hy-droxy-3,5-diiodo-benzyl-idene)-2-methyl-benzohydrazide.

Project description:The asymmetric unit of the title compound, C(15)H(12)I(2)N(2)O(2), contains two independent mol-ecules in which the dihedral angles between the two benzene rings are 62.4?(7) and 41.1?(7)°. Intra-molecular O-H?N hydrogen bonds generate S(6) ring motifs in each mol-ecule. In the crystal, mol-ecules are linked through inter-molecular N-H?O hydrogen bonds, forming chains along the a axis.

| S-EPMC3050158 | biostudies-literature

N'-(3,5-Dibromo-2-hy-droxy-benzyl-idene)-2-methyl-benzohydrazide.

Project description:The asymmetric unit of the title compound, C(15)H(12)Br(2)N(2)O(2), contains two independent mol-ecules in which the dihedral angles between the benzene rings are 49.5?(7) and 66.4?(7)°. Intra-molecular O-H?N hydrogen bonds generate S(6) ring motifs in each mol-ecule. In the crystal, mol-ecules are linked through inter-molecular N-H?O hydrogen bonds, forming chains along the b axis.

| S-EPMC3011752 | biostudies-literature

N'-(5-Bromo-2-hy-droxy-benzyl-idene)-4-methyl-benzohydrazide.

Project description:The mol-ecule of the title compound, C(15)H(13)BrN(2)O(2), displays an E conformation with respect to the C=N double bond and the dihedral angle between the planes of the benzene rings is 3.1 (2)°. An intra-molecular O-H⋯N inter-action generates an S(6) ring. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds, forming C(4) chains along the c-axis direction.

| S-EPMC3247477 | biostudies-literature

N'-[(E)-4-Benz-yloxy-2-hy-droxy-benzyl-idene]-4-nitro-benzohydrazide di-methyl-formamide monosolvate.

Project description:The title compound, C21H17N3O5·C3H7NO, exists in an E conformation with respect to the azomethine double bond of the hydrazide mol-ecule. This mol-ecule contains an intra-molecular O-H⋯N hydrogen bond, while an inter-molecular N-H⋯O hydrogen bond links the hydrazide to the formamide mol-ecule of solvation. Nonclassical C-H⋯O inter-molecular hydrogen bonds build up a supra-molecular architecture, together with two C-H⋯π inter-actions and a weak π-π inter-action, with a centroid-centroid distance of 3.650 (13) Å.

| S-EPMC3770421 | biostudies-literature

N'-[(1E)-(2-Hy-droxy-naphthalen-1-yl)methyl-idene]-2-meth-oxy-benzohydrazide.

Project description:There are three independent mol-ecules in the asymmetric unit of the title compound, C(19)H(16)N(2)O(3), in which the dihedral angles between the naphthalene ring system and the benzene ring are 7.52?(16), 18.15?(18), and 13.9?(2)°. All the mol-ecules exist in the trans configuration with respect to the methyl-idene units. In each mol-ecule there is one O-H?N and one N-H?O intra-molecular hydrogen bond. In the crystal, two of the mol-ecules are linked via a bifurcated N-H?(O,O) hydrogen bond. All three mol-ecules are further linked via C-H?O inter-actions.

| S-EPMC3201446 | 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