Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N'-[3-(Hy-droxy-imino)-butan-2-yl-idene]-4-methyl-benzene-1-sulfono-hydrazide.

ABSTRACT: In the title compound, C(11)H(15)N(3)O(3)S, the C-S-N(H)-N linkage is nonplanar, the torsion angle being 75.70?(12)°. The compound has two almost planar fragments linked to the S atom: the hydrazone-derivative fragment [(HONC(4)H(6))N-N(H)-] and the tolyl fragment (C(7)H(7)-) have maximum deviations from the mean plane through the non-H atoms of 0.0260?(10) and 0.0148?(14)?Å, respectively. The two planar fragments make an inter-planar angle of 79.47?(5)°. In the crystal, mol-ecules are connected through inversion centers via pairs of N-H?O and O-H?N hydrogen bonds.

SUBMITTER: Bulhosa MC

PROVIDER: S-EPMC3297317 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N'-[3-(Hy-droxy-imino)-butan-2-yl-idene]-4-methyl-benzene-1-sulfono-hydrazide.

Bulhosa Maria C S MC Gervini Vanessa Carratu VC Bresolin Leandro L Locatelli Aline A de Oliveira Adriano Bof AB

Acta crystallographica. Section E, Structure reports online 20120204 Pt 3

In the title compound, C(11)H(15)N(3)O(3)S, the C-S-N(H)-N linkage is nonplanar, the torsion angle being 75.70 (12)°. The compound has two almost planar fragments linked to the S atom: the hydrazone-derivative fragment [(HONC(4)H(6))N-N(H)-] and the tolyl fragment (C(7)H(7)-) have maximum deviations from the mean plane through the non-H atoms of 0.0260 (10) and 0.0148 (14) Å, respectively. The two planar fragments make an inter-planar angle of 79.47 (5)°. In the crystal, mol-ecules are connected ...[more]

PMID: 22412507

Similar Datasets

(E)-N'-[(2-Hy-droxy-naphthalen-1-yl)methyl-idene]-4-methyl-benzene-sulfono-hydrazide.

Project description:In the title compound, C(18)H(16)N(2)O(3)S, the dihedral angle between the planes of the benzene ring and the naphthyl ring system is 83.37 (10)°. An intra-molecular O-H⋯N hydrogen bond occurs. Inter-molecular N-H⋯O hydrogen bonds stabilize the crystal structure. There is a π-π inter-action between the naphthyl ring systems [centroid-centroid distance = 3.7556 (15) Å]. In addition, naphth-yl-tolyl and naphth-yl-naphthyl C-H⋯π inter-actions are observed.

| S-EPMC3052163 | biostudies-literature

N'-[(E)-2-Hy-droxy-5-iodo-benzyl-idene]-4-methyl-benzene-sulfono-hydrazide.

Project description:In the title mol-ecule, C(14)H(13)IN(2)O(3)S, the dihedral angle between the planes of the benzene and toluene rings is 84.3 (3)°. The mol-ecule displays a trans conformation with respect to the C=N bond. There is an intra-molecular O-H⋯N hydrogen bond with the azomethine N atom as acceptor. In the crystal, N-H⋯O hydrogen bonds connect the mol-ecules into chains running along the b axis.

| S-EPMC3435795 | biostudies-literature

(E)-2-[(E)-3-(Hy-droxy-imino)-butan-2-yl-idene]-N-methyl-hydrazinecarbothio-amide.

Project description:In the title compound, C(6)H(12)N(4)OS, an intra-molecular N-H?N hydrogen-bond is present giving rise to an S(5) ring motif. In the crystal, double-stranded chains propagating along [10[Formula: see text]] are formed via pairs of O-H?S and N-H?S hydrogen bonds. The chains are further stabilized by C-H?S interactions.

| S-EPMC3254522 | biostudies-literature

4-Methyl-N'-(2-oxoindolin-3-yl-idene)benzene-1-sulfono-hydrazide.

Project description:In the title compound, C(15)H(13)N(3)O(3)S, the C-S-N(H)-N linkage is non-planar, the torsion angle being -65.12 (13)° and the S atom showing a tetra-hedral environment. The compound has two almost planar fragments linked to the S atom: the isatin-derivative fragment [(C(8)H(5)NO)N-N(H)-] and the tolyl fragment [C(7)H(7)-] have maximum deviations from the mean plane through the non-H atoms of 0.0813 (13) and 0.0094 (16) Å, respectively, and make an inter-planar angle of 80.48 (3)°. In the crystal, mol-ecules are connected into inversion dimers via pairs of N-H⋯O hydrogen bonds. Additionally, the mol-ecular structure is stabilized by an intra-molecular N-H⋯O hydrogen bond.

| S-EPMC3238916 | biostudies-literature

N'-(2-Hy-droxy-benzyl-idene)-2-(hy-droxy-imino)-propano-hydrazide.

Project description:The mol-ecule of the title compound, C(10)H(11)N(3)O(3), adopts an all-trans conformation and is approxomately planar, the largest deviation from the least-squares plane through all non-H atoms being 0.261 (1) Å. An intra-molecular O-H⋯N hydrogen bond occurs. In the crystal, the mol-ecules are packed into layers lying parallel to the ab plane by π-stacking inter-actions between the benzene ring of one molecule and the C-N bond of the oxime group of another molecule; the shortest inter-molecular C⋯C separation within the layer is 3.412 (1) Å. The layers are connected by O-H⋯O and N-H⋯O hydrogen bonds.

| S-EPMC3238939 | biostudies-literature

Crystal structure of N'-[(E)-(4-chloro-phen-yl)(phen-yl)methyl-idene]-4-methyl-benzene-sulfono-hydrazide.

Project description:The title compound, C20H17ClN2O2S, was obtained by a condensation reaction between 4-chloro-benzo-phenone and tosyl hydrazide. The plane of the methyl-substituted benzene ring forms dihedral angles of 20.12 (12) and 78.43 (13)° with those of the chlorine-substituted benzene ring and the benzene ring, respectively, with the last two rings forming a dihedral angle of 67.81 (13)°. The chlorine substituent was also found to be 0.868 (2):0.132 (2) disordered over these two rings. In the crystal, mol-ecules are linked through pairs of N-H⋯O hydrogen bonds, giving centrosymmetric cyclic dimers [graph set R 2 (2)(8)], which are linked by weak C-H⋯O and C-H⋯Cl inter-actions into a chain structure which extends along the a-axis direction.

| S-EPMC4331850 | biostudies-literature

(E)-N-Ethyl-2-[(E)-3-(hy-droxy-imino)-butan-2-yl-idene]hydrazinecarbothio-amide.

Project description:In the crystal structure of the title compound, C(7)H(14)N(4)OS, mol-ecules are linked through N-H⋯S and O-H⋯N hydrogen bonds and C-H⋯S interactions, forming chains propagating along [21-1].

| S-EPMC3414996 | biostudies-literature

Crystal structure of bis-{μ-4-methyl-N'-[3-(oxido-imino)-butan-2-yl-idene]benzene-sulfono-hydrazidato}bis-[(dimethyl sulfoxide-κO)copper(II)].

Project description:In the title compound, [Cu2(C11H13N3O3S)2(C2H6OS)2], the Cu(II) cation is N,N',O-chelated by a deprotonated hy-droxy-imino-tosyl-hydrazone ligand and coordinated by a dimethyl sulfoxide mol-ecule. One O atom from the adjacent hy-droxy-imino-tosyl-hydrazone ligand bridges the Cu(II) cation, forming the centrosymmetric dimeric complex. The cation is in an overall distorted N2O3 square-pyramidal coordination environment. The methyl-benzene ring is twisted with respect to the hydrazine fragment, with a dihedral angle of 89.54 (9)° between the planes. An intra-molecular C-H⋯O hydrogen bond occurs. In the crystal, mol-ecules are linked by weak C-H⋯O and C-H⋯S inter-actions. Weak π-π stacking is also observed between parallel benzene rings of adjacent mol-ecules, the centroid-centroid distance being 3.9592 (17) Å.

| S-EPMC4186093 | biostudies-literature

Crystal structure of (E)-N'-{[(1R,3R)-3-isopropyl-1-methyl-2-oxo-cyclo-pent-yl]methyl-idene}-4-methyl-benzene-sulfono-hydrazide.

Project description:The title compound, C17H24N2O3S, was synthesized in order to determine the relative configuration of the corresponding ?-keto aldehyde. In the U-shaped mol-ecule, the five-membered ring approximates an envelope with the methyl-ene atom adjacent to the quaternary C atom being the flap. The dihedral angles between the four nearly coplanar atoms of the five-membered ring and the flap and the aromatic ring are 38.8?(4) and 22.9?(2)°, respectively. The bond angles around the S atom are in the range 104.11?(16)-119.95?(16)°. In the crystal, mol-ecules are linked via N-H?O by hydrogen bonds, forming a chain along the a-axis direction.

| S-EPMC4384629 | biostudies-literature

N'-[(4Z)-1-(3-Methyl-5-oxo-1-phenyl-4,5-di-hydro-1H-pyrazol-4-yl-idene)hex-yl]benzene-sulfono-hydrazide.

Project description:In the title compound, C22H26N4O3S, the dihedral angle between the pyrazoloneand phenyl rings is 21.73?(4)°. The benzensulfono-hydrazide group adopts a gauche conformation about the N-N vector. The C-N-N-S torsion angle is -109.88?(13)°. The mol-ecule exists as the enamine tautomeric form (C=C-NH). An intra-molecular N-H?O=C hydrogen bond occurs. In the crystal, mol-ecules are linked by pairs of N-H?O=C hydrogen bonds, forming centrosymmetric dimers.

| S-EPMC4051048 | 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