Browse
Submit Data
Databases
API
Help

Dataset Information

22 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

5-(2,3,4,5,6-Penta-fluoro-phen-yl)-1,3,4-thia-diazol-2-amine.

ABSTRACT: The title compound, C(8)H(2)F(5)N(3)S, was synthesized by the reaction of perfluoro-benzoic acid and thio-semicarbazide. The dihedral angle between the thia-diazole and perfluoro-phenyl ring is 35.41?(6)°. In the crystal, inter-molecular N-H?N hydrogen bonds link the mol-ecules, forming a three-dimensional network.

SUBMITTER: Wang P

PROVIDER: S-EPMC3009109 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

5-(2,3,4,5,6-Penta-fluoro-phen-yl)-1,3,4-thia-diazol-2-amine.

Wang Peng P Wan Rong R Zhang Jianqiang J Yu Peng P He Qiu Q

Acta crystallographica. Section E, Structure reports online 20101009 Pt 11

The title compound, C(8)H(2)F(5)N(3)S, was synthesized by the reaction of perfluoro-benzoic acid and thio-semicarbazide. The dihedral angle between the thia-diazole and perfluoro-phenyl ring is 35.41 (6)°. In the crystal, inter-molecular N-H⋯N hydrogen bonds link the mol-ecules, forming a three-dimensional network. ...[more]

PMID: 21588967

Similar Datasets

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

Project description:The title compound, C(8)H(6)FN(3)S, was synthesized by the reaction of 3-fluoro-benzoic acid and thio-semicarbazide. The dihedral angle between the planes of the thia-diazole and benzene rings is 37.3?(2)°. In the structure, two crystallographically independent mol-ecules form a centrosymmetric dimer, in which two inter-molecular N-H?N hydrogen bonds generate an R(2) (2)(8) motif.

| S-EPMC2969772 | 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

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

Project description:The asymmetric unit of the title compound, C(9)H(9)N(3)S, contains two crystallographically independent mol-ecules, in which the thia-diazole and tolyl rings are oriented at dihedral angles of 32.25?(3) and 74.50?(3)°. An intra-molecular C-H?S inter-action results in the formation of a five-membered ring. In the crystal structure, inter-molecular N-H?N hydrogen bonds link the mol-ecules into chains along the a axis. A ?-? contact between the thia-diazole rings [centroid-centroid distance = 3.910?(3)?Å] may further stabilize the structure. There is also a weak C-H?? inter-action.

| S-EPMC2977661 | biostudies-literature

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-(Thio-phen-2-ylmeth-yl)-1,3,4-thia-diazol-2-amine.

Project description:In the title mol-ecule, C(7)H(7)N(3)S(2), the dihedral angle between the thio-phene and thia-diazole rings is 72.99?(5)°; the two rings are oriented so that the S atoms in each ring are on the same side. In the crystal, the three-dimensional network involves strong N-H?O hydrogen bonds, as well as C-H?? and ?-? stacking inter-actions [centroid-centroid distances = 3.654?(1) and 3.495?(1)?Å].

| S-EPMC3344432 | biostudies-literature

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

Project description:The title compound, C(8)H(5)BrN(4)O(2)S, was synthesized by the reaction of 4-bromo-2-nitro-benzoic acid with thio-semi-carbazide. The dihedral angle between the thia-diazole and benzene rings is 40.5?(2)°. In the crystal, the strongest N-H?N inter-molecular hydrogen bond, between the amine group and one thia-diazole N atom, forms centrosymmetric dimers. The other amine H atom extends the supra-molecular network, forming an N-H?N contact with the other thia-diazole N atom.

| S-EPMC3200604 | 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

1-[(2,3,4,5,6-Penta-fluoro-phen-yl)ethyn-yl]ferrocene.

Project description:The mol-ecular structure of the title compound, [Fe(C(5)H(5))(C(13)H(4)F(5))], consists of a ferrocenyl group and a 2,3,4,5,6-penta-fluoro-benzene group linked through an ethyne spacer. The crystal packing is dominated by inter-molecular C-H?F hydrogen bonds, C-F?? inter-actions between the penta-fluoro-benzene groups [F?centroid distances = 3.882?(2) and 3.884?(2)?Å] and ?-? inter-actions between the penta-fluoro-benzene and cyclo-penta-dienyl rings [centroid-centroid distance = 3.741?(1)?Å].

| S-EPMC3007523 | biostudies-literature

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

Project description:The title compound, C(18)H(14)FN(3)O(2)S(2), was synthesized by the reaction of 5-(4-fluoro-phen-yl)-N-(4-methoxy-benzyl-idene)-1,3,4-thia-diazol-2-amine and mercaptoacetic acid. The thia-zolidinone ring adopts a twist conformation. The 4-methoxy-phenyl ring is almost perpendicular to the thia-diazole ring, making a dihedral angle of 88.4?(3)°. The 4-fluoro-phenyl ring is nearly coplanar with the thia-diazole ring, the dihedral angle being 6.8?(3)°. The crystal structure involves C-H?N, C-H?O and C-H?S hydrogen bonds.

| S-EPMC2961680 | 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

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