Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N'-[Bis(benzyl-sulfan-yl)methyl-idene]benzohydrazide.

ABSTRACT: In the title hydrazonodithio-ate, C(21)H(19)N(3)OS(2), the amide group is twisted out of the plane through the S(2)C=N atoms: the C-N-N-C torsion angle is 139.71?(13)°. The pyridine ring forms dihedral angles of 52.96?(8) and 86.46?(8)° with the phenyl rings, and the latter are approximately orthogonal [dihedral angle = 76.42?(9)°]. Supra-molecular chains sustained by N-H?O hydrogen bonds and propagated by glide symmetry along the c axis are found in the crystal structure. The chains are consolidated into a three-dimensional architecture by C-H?O and C-H?N inter-actions.

SUBMITTER: Tayamon S

PROVIDER: S-EPMC3379243 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N'-[Bis(benzyl-sulfan-yl)methyl-idene]benzohydrazide.

Tayamon Shahedeh S Ravoof Thahira Begum S A TB Tahir Mohamed Ibrahim Mohamed MI Crouse Karen A KA Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20120505 Pt 6

In the title hydrazonodithio-ate, C(21)H(19)N(3)OS(2), the amide group is twisted out of the plane through the S(2)C=N atoms: the C-N-N-C torsion angle is 139.71 (13)°. The pyridine ring forms dihedral angles of 52.96 (8) and 86.46 (8)° with the phenyl rings, and the latter are approximately orthogonal [dihedral angle = 76.42 (9)°]. Supra-molecular chains sustained by N-H⋯O hydrogen bonds and propagated by glide symmetry along the c axis are found in the crystal structure. The chains are consoli ...[more]

PMID: 22719441

Similar Datasets

N'-[Bis(benzyl-sulfan-yl)methyl-idene]-4-meth-oxy-benzohydrazide.

Project description:In the title compound, C(23)H(22)N(2)O(2)S(2), the dihedral angles between the 4-meth-oxy-substituted phenyl ring and the other two phenyl rings are 84.4?(4) and 77.7?(1)°, respectively, while the dihedral angle between the two phenyl rings is 57.5?(2)°. The amino group is not involved in an N-H hydrogen bond. The crystal packing is established by inter-molecular C-H?O packing inter-actions involving a relatively rare weak three-center hydrogen bond between the keto O atom and H atoms of the two nearby phenyl rings, which link the mol-ecules into chains running along the a axis. Additional weak inter-molecular hydrogen-bond inter-actions between the 4-meth-oxy O atom and one of the phenyl rings and provide added stability to the crystal packing.

| S-EPMC3007250 | biostudies-literature

4,6-Bis[4-(benzyl-sulfan-yl)styr-yl]-2-(methyl-sulfan-yl)pyrimidine.

Project description:The title compound, C(35)H(30)N(2)S(3), has been synthesized by a solvent-free reaction. The mol-ecule exhibits an E,E configuration, the benzene rings and pyrimidine rings being located on the opposite sides of the C=C bonds. The centroid-centroid separation of 3.5808 (17) Å indicates the existence of π-π stacking between nearly parallel pyrimidine and benzene rings of adjacent mol-ecules.

| S-EPMC2915314 | biostudies-literature

4-Methyl-1-[4-(methyl-sulfan-yl)benzyl-idene]thio-semicarbazide.

Project description:The title compound, C(10)H(13)N(3)S(2), is roughly planar (r.m.s. deviation = 0.086?Å). In the crystal, N-H?S hydrogen bonds link the mol-ecules into (001) sheets.

| S-EPMC3213514 | biostudies-literature

Crystal structure of 2-((1E)-{2-[bis-(2-methyl-benzyl-sulfan-yl)methyl-idene]hydrazin-1-yl-idene}meth-yl)-6-meth-oxy-phenol.

Project description:In the title compound, C25H26N2O2S2, the central CN2S2 atoms are almost coplanar (r.m.s. deviation = 0.0058 Å). One phenyl ring clearly lies to one side of the central plane, while the other is oriented in the plane but splayed. Despite the different relative orientations, the phenyl rings form similar dihedral angles of 64.90 (3) and 70.06 (3)° with the central plane, and 63.28 (4)° with each other. The benzene ring is twisted with respect to the central plane, forming a dihedral angle of 13.17 (7)°. The S2C=N, N-N and N-N=C bond lengths of 1.2919 (19), 1.4037 (17) and 1.2892 (19) Å, respectively, suggest limited conjugation over these atoms; the configuration about the N-N=C bond is E. An intra-molecular O-H⋯N hydrogen bond is noted. In the crystal, phen-yl-meth-oxy C-H⋯O and phen-yl-phenyl C-H⋯π inter-actions lead to supra-molecular double chains parallel to the b axis. These are connected into a layer via meth-yl-phenyl C-H⋯π inter-actions, and layers stack along the a axis, being connected by weak π-π inter-actions between phenyl rings [inter-centroid distance = 3.9915 (9) Å] so that a three-dimensional architecture ensues.

| S-EPMC4438809 | biostudies-literature

Crystal structure of N'-[bis-(ethyl-sulfan-yl)methyl-idene]-2-hy-droxy-4-meth-oxy-benzohydrazide.

Project description:In the title compound, C13H18N2O3S2, the amide group is in the plane of the -benzoyl ring with a C-N-N-C torsion angle of 177.63?(12)°. The two di-thio-ate groups are in an anti conformation [torsion angles = 173.68?(8) and -9.98?(10)°]. An intra-molecular N-H?O hydrogen bond is observed. In the crystal, an O-H?O hydrogen bond and a weak C-H?O contact involving the same acceptor atom generate an S(6) ring motif and give rise to chains along [010].

| S-EPMC4719926 | biostudies-literature

N'-(4-Chloro-benzyl-idene)-2-[4-(methyl-sulfan-yl)phen-yl]acetohydrazide.

Project description:In the title compound, C(16)H(15)ClN(2)OS, the hydrazine group is twisted slightly: the C-N-N-C torsion angle is 175.46 (13)°. The dihedral angle between the two terminal aromatic rings is 87.01 (8)°. In the crystal, inversion dimers linked by pairs of N-H⋯O hydrogen bonds generate R(2) (2)(8) loops. The dimers are further linked by weak C-H⋯π inter-actions.

| S-EPMC3247585 | biostudies-literature

Bis(benzyl-sulfan-yl)methane.

Project description:In the title compound, C(15)H(16)S(2), the structure of the dithioalkyl chain is a helix with an all-cis conformation. The dihedral angle between the mean planes of the terminal aromatic rings is 74.60?(4)°. In the crystal structure, weak C-H?? inter-actions contribute to the stabilization of the packing.

| S-EPMC2979583 | biostudies-literature

(E)-N'-[4-(Methyl-sulfan-yl)benzyl-idene]furan-2-carbohydrazide monohydrate.

Project description:In the title compound, C(13)H(12)N(2)O(2)S·H(2)O, the dihedral angle between the aromatic rings is 35.34?(19)° and an intra-molecular N-H?O hydrogen bond generates an S(5) ring. In the crystal, mol-ecules are linked by N-H?O and O-H?O hydrogen bonds, generating (001) sheets.

| S-EPMC3007322 | biostudies-literature

(5''E)-1''-Benzyl-1'-methyl-5''-[4-(methyl-sulfan-yl)benzyl-idene]-4'-[4-(methyl-sulfan-yl)phen-yl]dispiro-[indoline-3,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione dichloro-methane solvate.

Project description:In the title compound, C(38)H(36)N(3)O(2)S(2)·CH(2)Cl(2), the 2-oxindole ring is almost planar (r.m.s. deviation = 0.032?Å), the pyrrolidine ring adopts a twist conformation and the piperidone ring exists as a chair. Three short C-H?O intra-molecular contacts occur. In the crystal, mol-ecules are linked by C-H?O and C-H?N inter-actions. The dichloro-methane solvent mol-ecule is disordered over two orientations in a 0.765?(11):0.235?(11) ratio.

| S-EPMC2980017 | biostudies-literature

N'-(2-Chloro-benzyl-idene)-2-methyl-benzohydrazide.

Project description:The title hydrazone compound, C(15)H(13)ClN(2)O, adopts an E configuration about the C=N double bond. The dihedral angle between the two benzene rings is 13.1?(2)°. In the crystal, mol-ecules are linked through N-H?O hydrogen bonds, forming chains parallel to [101].

| S-EPMC3275039 | 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