Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

5-(2,4-Dichloro-phenoxy-meth-yl)-1,3,4-thia-diazol-2-amine.

ABSTRACT: The title compound, C(9)H(7)Cl(2)N(3)OS, was synthesized by the reaction of 2,4-dichloro-phenoxy-acetic acid and thio-semicarbazide. The dihedral angle between the thia-diazole and benzene rings is 21.5?(2)°. In the crystal, inter-molecular N-H?N hydrogen bonding links the mol-ecules into chains along the b axis.

SUBMITTER: Wang Y

PROVIDER: S-EPMC2977151 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

5-(2,4-Dichloro-phenoxy-meth-yl)-1,3,4-thia-diazol-2-amine.

Wang Yao Y Wan Rong R Han Feng F Wang Peng P

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

The title compound, C(9)H(7)Cl(2)N(3)OS, was synthesized by the reaction of 2,4-dichloro-phenoxy-acetic acid and thio-semicarbazide. The dihedral angle between the thia-diazole and benzene rings is 21.5 (2)°. In the crystal, inter-molecular N-H⋯N hydrogen bonding links the mol-ecules into chains along the b axis. ...[more]

PMID: 21583471

Similar Datasets

5-(4-Phenoxy-phen-yl)-1,3,4-thia-diazol-2-amine.

Project description:The title compound, C(14)H(11)N(3)OS, was synthesized by the reaction of phenoxy-benzoic acid and thio-semicarbazide. The thia-diazole ring makes dihedral angles of 0.99 (16) and 86.53 (18)°, respectively, with the benzene and phenyl rings. The dihedral angle between the benzene and phenyl rings is 87.17 (19)°. Intra-molecular C-H⋯S contacts are present. In the crystal, inter-molecular N-H⋯N hydrogen bonds link the mol-ecules.

| S-EPMC2977727 | biostudies-literature

5-(4-Meth-ylphenyl)-1,3,4-thia-diazol-2-amine.

Project description:The title compound, C(9)H(9)N(3)S, was synthesized by the reaction of 4-methyl-benzoic acid and thio-semicarbazide. The thia-diazol ring adopts a planar conformation and makes a dihedral angle of 31.19 (18)° with the phenyl ring. In the crystal, mol-ecules are linked by N-H⋯N hydrogen bonds.

| S-EPMC2977673 | biostudies-literature

5-({3-[(5-Amino-1,3,4-thia-diazol-2-yl)sulfanylmeth-yl]benz-yl}sulfan-yl)-1,3,4-thia-diazol-2-amine.

Project description:In the title compound, C(12)H(12)N(6)S(4), the two terminal thia-diazole rings are twisted with respect to the central benzene ring, making dihedral angles of 54.28?(4) and 76.56?(3)°. The dihedral angle between the two thia-diazole rings is 27.77?(4)°. Inter-molecular N-H?N hydrogen bonds stabilize the crystal packing, linking the mol-ecules into a tape along the b axis.

| S-EPMC3344171 | biostudies-literature

N-{N-[5-(2,4-Dichloro-phen-yl)-1,3,4-thia-diazol-2-yl]carbamo-yl}-2,6-difluoro-benzamide.

Project description:In the title compound, C(16)H(8)Cl(2)F(2)N(4)O(2)S, the thia-diazole ring makes dihedral angles of 24.94?(14) and 48.11?(14)°, respectively, with the dichloro- and difluoro-substituted benzene rings. An intra-molecular N-H?O hydrogen bond results in the formation of a planar (mean deviation 0.0091?Å) six-membered ring. In the crystal structure, mol-ecules form centrosymmetric dimers through pairs of inter-molecular N-H?O hydrogen bonds.

| S-EPMC2971195 | biostudies-literature

2-(2,4-Dichloro-phen-yl)-3-[5-(3,5-dimethyl-phen-yl)-1,3,4-thia-diazol-2-yl]thia-zolidin-4-one.

Project description:The title compound, C(19)H(15)Cl(2)N(3)OS(2), was synthesized by the reaction of N-(2,4-dichloro-phen-yl)-5-(3,5-dimethyl-phen-yl)-1,3,4-thia-diazol-2-amine and mercaptoacetic acid. The thia-zolidinone ring adopts a twist conformation. The 2,4-dichloro-phenyl ring is almost perpendicular to the thia-diazole ring, the dihedral angle being 82.8 (2)°. The 3,5-dimethyl-phenyl ring is nearly coplanar with the thia-diazole ring, the dihedral angle being 2.7 (2)°. An intramolecular C-H⋯N hydrogen bond is present.

| S-EPMC2924216 | biostudies-literature

2-(2,4-Dichloro-phen-yl)-3-[5-(4-methoxy-phen-yl)-1,3,4-thia-diazol-2-yl]-1,3-thia-zolidin-4-one.

Project description:In the mol-ecule of the title compound, C(18)H(13)Cl(2)N(3)O(2)S(2), the thia-zolidinone ring has an envelope conformation with the S atom displaced by 0.394 (3) Å from the plane of the other ring atoms. The thia-diazole ring is oriented at a dihedral angle of 7.40 (4)° with respect to the 4-methoxy-phenyl ring. Intra-molecular C-H⋯S, C-H⋯N and C-H⋯Cl hydrogen bonds result in the formation of two planar and two non-planar five-membered rings. The planar five-membered rings are oriented at a dihedral angle of 6.23 (3)°. The 2,4-dichloro-phenyl ring is oriented at dihedral angles of 84.21 (4) and 83.55 (3)° with respect to the thia-diazole and 4-methoxy-phenyl rings, respectively. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers.

| S-EPMC2961251 | biostudies-literature

5-(3-Pyrid-yl)-1,3,4-thia-diazol-2-amine.

Project description:The title compound, C(7)H(6)N(4)S, was synthesized by reacting pyridine-3-carboxylic acid and thio-semicarbazide. The dihedral angle between the planes of the thia-diazole and pyridine rings is 32.42?(14)°. In the crystal structure, inter-molecular N-H?N inter-actions link the mol-ecules into a three-dimensional network, forming R(2) (2)(8) ring motifs. ?-? contacts between thia-diazole rings [centroid-centroid distance = 3.666?(1)?Å] may further stabilize the structure.

| S-EPMC2969629 | biostudies-literature

5-(4-Pyrid-yl)-1,3,4-thia-diazol-2-amine.

Project description:The title compound, C(7)H(6)N(4)S, was synthesized by reacting pyridine-4-carboxylic acid and thio-semicarbazide. The asymmetric unit contains two independent mol-ecules, which present different conformations, the dihedral angles between the thia-diazole and pyridine rings being 18.2 (2) and 30.3 (2)°. In the crystal, inter-molecular N-H⋯N hydrogen bonds involving the amine groups as donors link mol-ecules into a two-dimensional framework.

| S-EPMC2977777 | biostudies-literature

5-[(2-Methyl-4-nitro-1H-imidazol-1-yl)meth-yl]-1,3,4-thia-diazol-2-amine.

Project description:In the title compound, C7H8N6O2S, the dihedral angle between the imidazole and thia-diazole rings is 70.86?(15)°. In the crystal, mol-ecules are linked into [10-1] chains by N-H?N hydrogen bonds, which incorporate centrosymmetric R 2 (2)(8) and R 2 (2)(18) loops. The chains are linked by C-H?O and C-H?N inter-actions, generating a three-dimensional network. Very weak ?-? stacking [centroid-centroid distance = 3.901?(17)?Å] is also observed.

| S-EPMC3885074 | biostudies-literature

5-(2-Bromo-phen-yl)-1,3,4-thia-diazol-2-amine.

Project description:In the title compound, C(8)H(6)BrN(3)S, the thia-diazole ring is oriented at a dihedral angle of 48.35?(3)° with respect to the bromo-phenyl ring. In the crystal structure, inter-molecular N-H?N hydrogen bonds link the mol-ecules.

| S-EPMC2959338 | 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