Browse
Submit Data
Databases
API
Help

Dataset Information

13 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,2-Bis[1-(3-methyl-sulfanyl-1,2,4-triazin-5-yl)ethyl-idene]diazane.

ABSTRACT: The mol-ecule of the title compound, C(12)H(14)N(8)S(2), has an N-N gauche conformation. The triazine rings are nearly coplanar with respect to the imide bonds [C-C-C-N torsion angles = -15.3?(3) and -15.8?(3)°] and they are twisted by 77.88?(7)°. The overall conformation of the mol-ecule is stabilized by intra-molecular C-H?N hydrogen bonding. The mol-ecular packing is influenced by ?-? inter-actions of the triazine systems with a shortest centroid-centroid separation of 3.5242?(12)?Å.

SUBMITTER: Mojzych M

PROVIDER: S-EPMC2977495 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1,2-Bis[1-(3-methyl-sulfanyl-1,2,4-triazin-5-yl)ethyl-idene]diazane.

Mojzych Mariusz M Karczmarzyk Zbigniew Z Urbańczyk-Lipkowska Zofia Z Kalicki Przemysław P

Acta crystallographica. Section E, Structure reports online 20090704 Pt 8

The mol-ecule of the title compound, C(12)H(14)N(8)S(2), has an N-N gauche conformation. The triazine rings are nearly coplanar with respect to the imide bonds [C-C-C-N torsion angles = -15.3 (3) and -15.8 (3)°] and they are twisted by 77.88 (7)°. The overall conformation of the mol-ecule is stabilized by intra-molecular C-H⋯N hydrogen bonding. The mol-ecular packing is influenced by π-π inter-actions of the triazine systems with a shortest centroid-centroid separation of 3.5242 (12) Å. ...[more]

PMID: 21583480

Similar Datasets

Bis{N-methyl-N'-[1-(pyridin-2-yl)ethyl-idene]ethane-1,2-diamine}-zinc bis-(perchlorate).

Project description:The title mononuclear zinc(II) complex, [Zn(C(10)H(15)N(3))(2)](ClO(4))(2), was obtained by the reaction of 2-acetyl-pyridine, N-methyl-ethane-1,2-diamine and zinc perchlorate in methanol. The asymmetric unit of the complex contains two independent [Zn(C(10)H(15)N(3))(2)](2+) cations and four perchlorate anions. The Zn(II) atom in each complex cation is six-coordinated by two pyridine N, two imine N and two amine N atoms from two N-methyl-N'-[1-(pyridin-2-yl)ethyl-idene]ethane-1,2-diamine Schiff base ligands in a distorted octa-hedral geometry. The pyridine rings in each of the complex cations are approximately perpendicular to each other, making dihedral angles of 88.4?(3) and 87.9?(3)°. The perchlorate anions are linked to the complex cations through N-H?O hydrogen bonds.

| S-EPMC3212129 | biostudies-literature

1,2-Bis[(1,3-benzodioxol-5-yl)methyl-idene]hydrazine.

Project description:The complete mol-ecule of the title compound, C(16)H(12)N(2)O(4), is generated by the application of a centre of inversion. The (1,3-benzodioxol-5-yl)methyl-idene fused-ring system is approximately planar (r.m.s. deviation = 0.020?Å) and is essentially coplanar with the central hydrazine group [dihedral angle = 5.08?(9)°]. Weak ?-? inter-molecular inter-actions are observed [centroid-centroid distance = 3.8553?(8)?Å], providing some packing stability.

| S-EPMC3254287 | biostudies-literature

Ethyl 2-(3-methyl-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-4-yl)acetate.

Project description:The title compound, C7H11N3O2S, exists in the 5-thioxo tautomeric form. The 1,2,4-triazoline ring is essentially planar, with a maximum deviation of 0.010?(2)?Å for the substituted N atom. The ethyl acetate substituent is almost planar, with a maximum deviation of 0.061?(4)?Å for the methyl-ene C atom of the eth-oxy group. The angle between the mean plane of this substituent and the mean plane of the 1,2,4-triazoline ring is 89.74?(8)°. In the crystal, mol-ecules are linked by a combination of N-H?S, C-H?N and C-H?O hydrogen bonds into chains parallel to [100].

| S-EPMC3588816 | biostudies-other

(1E,2E)-1,2-Bis[1-(3-nitro-phen-yl)ethyl-idene]hydrazine.

Project description:The asymmetric unit of the title compound, C(16)H(14)N(4)O(4), contains one half-mol-ecule of (nitro-phen-yl)ethanimine and the complete mol-ecule is generated by a crystallographic inversion centre. The mol-ecule has an E conformation with respect to each C=N double bond. The central C=N-N=C plane is twisted from the benzene rings with a dihedral angle of 24.76?(11)°. In the crystal, C-H?O inter-actions link the molecules to form sheets that lie parallel to (10-4).

| S-EPMC3295435 | biostudies-literature

(E,E)-1,2-Bis[1-(2-bromo-phen-yl)ethyl-idene]hydrazine.

Project description:In the title compound, C(16)H(14)Br(2)N(2), the complete molecule is generated by a crystallographic twofold axis. The dihedral angle between the two benzene rings is 35.28?(8)° and that between the best planes of two ethyl-idinehydrazine N-N=C-Me units is 87.67?(11)°. Each of these N/N/C/C planes makes a dihedral angle of 63.81?(10)° with the adjacent benzene ring. In the crystal, the mol-ecules are arranged into a layer parallel to the ac plane through C-H?? inter-actions. C?Br short contacts [3.4032?(18)-3.5969?(19)?Å] are also observed.

| S-EPMC3007455 | biostudies-literature

(1E,2E)-1,2-Bis[1-(3-chloro-phen-yl)ethyl-idene]hydrazine.

Project description:The title mol-ecule, C(16)H(14)Cl(2)N(2), lies on an inversion center. The dihedral angle between the symmetry-related benzene rings is 0.02?(11)°. The mean plane of the central C(meth-yl)-C=N-N=C-C(meth-yl) unit forms a dihedral angle of 5.57?(12)° with the symmetry-unique benzene ring.

| S-EPMC3239059 | biostudies-literature

4,4',5,5'-Tetra-phenyl-3,3'-[methyl-idene-bis(sulfanedi-yl)]bis-(4H-1,2,4-triazole).

Project description:The asymmetric unit of the title compound, C(29)H(22)N(6)S(2), contains one half-mol-ecule situated on a twofold rotational axis. The two triazole rings form a dihedral angle of 27.6?(2)°. In the crystal, weak inter-molecular C-H?N hydrogen bonds link the mol-ecules into ribbons extending along [001].

| S-EPMC3009284 | biostudies-literature

4-Methyl-sulfanyl-6-(4-pyrid-yl)-1,3,5-triazin-2-amine.

Project description:In the title compound, C(9)H(9)N(5)S, the pyridyl and triazine rings make a dihedral angle of 4.8?(2)°. In the crystal, adjacent mol-ecules are bridged by an N-H?N hydrogen bond, forming a helical chain running along the b axis.

| S-EPMC3089193 | biostudies-literature

N-[(4-Amino-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-3-yl)meth-yl]-4-methyl-benzamide.

Project description:In the title compound, C(11)H(13)N(5)OS, the dihedral angle between the triazole ring and the benzene ring is 84.21?(7)°. The amino group adopts a pyramidal configuration. An intra-molecular N-H?O hydrogen bond stabilizes the mol-ecular structure and generates an S(8) ring. In the crystal, mol-ecules are linked by inter-molecular N-H?O, N-H?S, N-H?N and C-H?S hydrogen bonds into layers lying parallel to the bc plane. The crystal structure is further stabilized by aromatic ?-? stacking inter-actions [centroid-centroid distance = 3.3330?(7)?Å].

| S-EPMC2983242 | biostudies-literature

Ethyl 5-((1E)-1-{(E)-2-[1-(4-eth-oxy-carbonyl-3-methyl-1,2-oxazol-5-yl)ethyl-idene]hydrazin-1-yl-idene}eth-yl)-3-methyl-1,2-oxazole-4-carboxyl-ate.

Project description:The complete mol-ecule of the title compound, C(18)H(22)N(4)O(6), is generated by the application of a twofold axis of symmetry. Twists are evident in the mol-ecule, i.e. between each -C=N-N group and the adjacent oxazole ring [dihedral angle = 46.08?(12) °] and between the latter and attached ester group [excluding the terminal methyl group; dihedral angle = 24.4?(7) °]. In the crystal, C-H?O and ?-? [3.5990?(11)?Å] contacts connect mol-ecules into supra-molecular arrays in the ac plane. These stack along the b axis, being connected by weak ?-? [3.3903?(11)?Å] inter-actions.

| S-EPMC3200773 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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