Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Amino-5-methyl-6-methyl-sulfanyl-4-phenyl-benzene-1,3-dicarbonitrile.

ABSTRACT: The dihedral angle between the planes of the two aromatic rings of the title compound, C(16)H(13)N(3)S, is 56.7?(3)°. The crystal packing is stabilized by inter-molecular N-H?N hydrogen bonds, which link the mol-ecules into chains along [11[Formula: see text]].

SUBMITTER: Liu X

PROVIDER: S-EPMC3275204 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-Amino-5-methyl-6-methyl-sulfanyl-4-phenyl-benzene-1,3-dicarbonitrile.

Liu Xuan X Tang Jianhong J Huang Yunqiao Y Zhang Huawei H Li Jiarong J

Acta crystallographica. Section E, Structure reports online 20120118 Pt 2

The dihedral angle between the planes of the two aromatic rings of the title compound, C(16)H(13)N(3)S, is 56.7 (3)°. The crystal packing is stabilized by inter-molecular N-H⋯N hydrogen bonds, which link the mol-ecules into chains along [11[Formula: see text]]. ...[more]

PMID: 22347060

Similar Datasets

3-(2-Amino-phenyl-sulfanyl)-1,3-diphenyl-propan-1-one.

Project description:In the title compound, C(21)H(19)NOS, the three aromatic rings are not coplanar, the dihedral angles between them being 84.75?(7), 88.01?(8) and 8.36?(16)°. In the crystal, two types of C-H? ? inter-actions, one of which is weak, and N-H?? inter-actions link the mol-ecules into layers parallel to the ab plane.

| S-EPMC3152142 | biostudies-literature

2-Amino-4-[1-(2-chloro-phen-yl)-5-methyl-1H-1,2,3-triazol-4-yl]-6-(4-methyl-phen-yl)benzene-1,3-dicarbonitrile.

Project description:In the title compound, C(24)H(17)ClN(6), the dihedral angles between the triazolyl ring and its adjacent chlorobenzene and trisubstituted benzene rings are 90.6 (2) and 55.7 (3)°, respectively. The dihedral angle between the trisubstituted ring and the attached tolyl ring of the biphenyl unit is 45.9 (3)°. Intra- and intermolecular N-H⋯N hydrogen bonds are present.

| S-EPMC2977799 | biostudies-literature

4-(Phenyl-sulfan-yl)benzene-1,2-dicarbonitrile.

Project description:In the title compound, C(14)H(8)N(2)S, the dicyano-substituted aromatic ring and the phenyl ring attached to the central S atom adopt an angular V-shaped configuration. The dihedral angle between the rings is 103.6°.

| S-EPMC3009215 | biostudies-literature

(5S)-5-Methyl-3-phenyl-2-sulfanyl-idene-1,3-thia-zolidin-4-one.

Project description:In the title mol-ecule, C(10)H(9)NOS(2), the 2-sulfanyl-idene-thia-zolidin-4-one mean plane and phenyl ring form a dihedral angle of 81.7?(1)°. In the crystal, C-H?? inter-actions link mol-ecules into helical chains in [010].

| S-EPMC3254396 | biostudies-literature

2-Amino-N-(4-methyl-phenyl-sulfon-yl)-N-phenyl-benzene-sulfonamide.

Project description:In the title mol-ecule, C(19)H(18)N(2)O(4)S(2), the phenyl ring makes dihedral angles of 33.99 (2) and 43.70 (3)° with the two methyl-substituted benzene rings. Inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers. The crystal packing exhibits weak inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC2960949 | biostudies-literature

Bis[4-(4-amino-phenyl-sulfanyl)phenyl] ketone.

Project description:The mol-ecule of the title compound, C(25)H(20)N(2)OS(2), has imposed twofold rotation symmetry. The dihedral angle formed by the two crystallographically independent phenyl rings is 79.23 (7)°. In the crystal packing, the mol-ecules are linked by inter-molecular N-H⋯O hydrogen bonds, forming chains running parallel to [102].

| S-EPMC2969735 | biostudies-literature

4-Amino-5-(2-hydroxy-benzyl-idene-amino)benzene-1,2-dicarbonitrile.

Project description:A new tetra-dentate unsymmetrical Schiff base, C(15)H(10)N(4)O, has been synthesized from 4,5-dicyano-o-phenyl-enediamine and o-vanillin in refluxing ethanol. The dihedral angle between the two benzene rings is 39.0 (1)°. There are intra-molecular O-H⋯N and weak inter-molecular N-H⋯O and N-H⋯N inter-actions.

| S-EPMC2977663 | biostudies-literature

3-Methyl-sulfanyl-5-phenyl-1,2,4-triazine.

Project description:In the mol-ecule of the title compound, C10H9N3S, the dihedral angle between the triazine and phenyl rings is 11.77?(7)°. In the crystal, mol-ecules are linked by ?-? stacking inter-actions [centroid-centroid distances = 3.7359?(3) and 3.7944?(4)?Å], forming layers parallel to the bc plane.

| S-EPMC4051076 | biostudies-literature

1,3-Bis(phenyl-sufanylmeth-yl)benzene.

Project description:The complete mol-ecule of the title compound, C(20)H(18)S(2), is generated by crystallographic mirror symmetry, with two C atoms lying on the mirror plane. All of the independent atoms are contained within two planes defined by the thio-phenyl rings (C(6)S) and the central phenyl ring with the methyl-ene bridge; the r.m.s deviations of these planes are 0.012 and 0.025?Å, respectively. The two planes are almost perpendicular to one another at a dihedral angle of 80.24?(10)°. Inter-molecular C-H-? inter-actions are present in the crystal structure.

| S-EPMC2983717 | biostudies-literature

4-(3-Methyl-benzene-sulfonamido)-phenyl 3-methyl-benzene-sulfonate.

Project description:The complete mol-ecule of the title compound, C(20)H(19)NO(5)S(2), is generated by a crystallographic twofold axis and the O atom and N-H group attached to the central benzene ring are statistically disordered. The dihedral angle between the central and terminal benzene rings is 56.91 (5)° and that between the terminal benzene rings is 29.80 (5)°. In the crystal, N-H⋯O hydrogen bonding links the mol-ecules into sheets lying parallel to the ab plane.

| S-EPMC3274951 | 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